 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895308/Gau-29474.inp" -scrdir="/scratch/9895308/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29478.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer02_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:15:05 2022, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer02_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.102422000000      1.009439000000     -0.204817000000
  C                                                -1.575246000000     -0.373892000000      0.207580000000
  C                                                 0.327467000000      1.252072000000      0.249073000000
  C                                                 1.222705000000      0.116970000000     -0.239843000000
  O                                                 0.707410000000     -1.136257000000      0.219657000000
  C                                                -0.586987000000     -1.435900000000     -0.278785000000
  O                                                -1.905352000000      2.039558000000      0.360981000000
  H                                                -1.133486000000      1.074427000000     -1.299810000000
  O                                                -2.864026000000     -0.562475000000     -0.358015000000
  H                                                -1.620722000000     -0.424836000000      1.303059000000
  H                                                 0.348165000000      1.272598000000      1.345998000000
  O                                                 0.828476000000      2.473653000000     -0.276019000000
  C                                                 2.640205000000      0.212806000000      0.286289000000
  H                                                 1.243145000000      0.121854000000     -1.337249000000
  O                                                -0.938296000000     -2.717462000000      0.138545000000
  H                                                -0.573756000000     -1.464952000000     -1.373877000000
  H                                                -2.807685000000      1.926864000000      0.037798000000
  H                                                -3.209726000000     -1.411642000000     -0.057022000000
  H                                                 0.172444000000      3.157148000000     -0.087542000000
  O                                                 3.459035000000     -0.833583000000     -0.219863000000
  H                                                 2.615473000000      0.195525000000      1.382232000000
  H                                                 3.084876000000      1.152536000000     -0.035258000000
  H                                                -0.981520000000     -2.729991000000      1.105360000000
  H                                                 3.010482000000     -1.665979000000     -0.022956000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:15:05 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.102422    1.009439   -0.204817
      2          6           0       -1.575246   -0.373892    0.207580
      3          6           0        0.327467    1.252072    0.249073
      4          6           0        1.222705    0.116970   -0.239843
      5          8           0        0.707410   -1.136257    0.219657
      6          6           0       -0.586987   -1.435900   -0.278785
      7          8           0       -1.905352    2.039558    0.360981
      8          1           0       -1.133486    1.074427   -1.299810
      9          8           0       -2.864026   -0.562475   -0.358015
     10          1           0       -1.620722   -0.424836    1.303059
     11          1           0        0.348165    1.272598    1.345998
     12          8           0        0.828476    2.473653   -0.276019
     13          6           0        2.640205    0.212806    0.286289
     14          1           0        1.243145    0.121854   -1.337249
     15          8           0       -0.938296   -2.717462    0.138545
     16          1           0       -0.573756   -1.464952   -1.373877
     17          1           0       -2.807685    1.926864    0.037798
     18          1           0       -3.209726   -1.411642   -0.057022
     19          1           0        0.172444    3.157148   -0.087542
     20          8           0        3.459035   -0.833583   -0.219863
     21          1           0        2.615473    0.195525    1.382232
     22          1           0        3.084876    1.152536   -0.035258
     23          1           0       -0.981520   -2.729991    1.105360
     24          1           0        3.010482   -1.665979   -0.022956
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.518960   0.000000
     3  C    1.519694   2.503157   0.000000
     4  C    2.490772   2.875702   1.526089   0.000000
     5  O    2.838958   2.406629   2.418540   1.430820   0.000000
     6  C    2.500165   1.530055   2.887915   2.384933   1.419047
     7  O    1.423365   2.440746   2.370261   3.720494   4.114887
     8  H    1.097360   2.136587   2.136581   2.755338   3.253429
     9  O    2.365932   1.420005   3.721124   4.144512   3.663071
    10  H    2.144637   1.097605   2.778191   3.280119   2.664597
    11  H    2.139739   2.776047   1.097312   2.148299   2.683334
    12  O    2.424327   3.757693   1.420912   2.389703   3.645792
    13  C    3.857858   4.256811   2.535787   1.515027   2.357988
    14  H    2.751707   3.252013   2.152272   1.097607   2.072151
    15  O    3.746282   2.429566   4.167922   3.584286   2.283667
    16  H    2.787257   2.166656   3.290652   2.648732   2.070936
    17  H    1.951526   2.615571   3.213901   4.426832   4.666013
    18  H    3.213130   1.954089   4.438558   4.692177   3.936539
    19  H    2.500338   3.950919   1.940788   3.220082   4.337498
    20  O    4.919740   5.073264   3.791646   2.430046   2.802897
    21  H    4.123581   4.389324   2.763207   2.139416   2.601140
    22  H    4.193172   4.909755   2.773816   2.140545   3.309970
    23  H    3.964154   2.590313   4.278259   3.843614   2.485346
    24  H    4.909879   4.769857   3.973360   2.534185   2.375628
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.771763   0.000000
     8  H    2.764579   2.070141   0.000000
     9  O    2.440093   2.864714   2.561483   0.000000
    10  H    2.143149   2.653632   3.043044   2.079403   0.000000
    11  H    3.293993   2.576204   3.038891   4.072999   2.599931
    12  O    4.157902   2.840427   2.618258   4.781147   4.110146
    13  C    3.667739   4.899458   4.183162   5.595779   4.426726
    14  H    2.626086   4.058892   2.560698   4.277389   3.933425
    15  O    1.392833   4.859415   4.060220   2.932401   2.660438
    16  H    1.095557   4.130916   2.601390   2.663039   3.056790
    17  H    4.042265   0.965066   2.306249   2.521240   2.922372
    18  H    2.632210   3.713071   3.469270   0.964982   2.312691
    19  H    4.659335   2.401545   2.740944   4.809252   4.240262
    20  O    4.091033   6.113016   5.089011   6.330378   5.318862
    21  H    3.959328   4.988113   4.692602   5.798960   4.282110
    22  H    4.499098   5.083915   4.404517   6.199586   5.140219
    23  H    1.935506   4.914892   4.503502   3.222332   2.400292
    24  H    3.613885   6.167969   5.129586   5.986638   4.974616
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074650   0.000000
    13  C    2.738538   2.951268   0.000000
    14  H    3.053689   2.613258   2.143811   0.000000
    15  O    4.362740   5.499184   4.627523   3.872773   0.000000
    16  H    3.967599   4.322517   3.987552   2.412556   1.997271
    17  H    3.478339   3.690410   5.716577   4.643064   5.007447
    18  H    4.672494   5.608079   6.080986   4.880436   2.627319
    19  H    2.374330   0.965954   3.859889   3.452706   5.982968
    20  O    4.070065   4.226204   1.421831   2.659244   4.797288
    21  H    2.510395   3.336618   1.096358   3.047013   4.760412
    22  H    3.067877   2.625768   1.088217   2.479810   5.585070
    23  H    4.224534   5.679983   4.737913   4.364458   0.967862
    24  H    4.194902   4.686336   1.939735   2.836757   4.089566
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.299730   0.000000
    18  H    2.947081   3.363963   0.000000
    19  H    4.855438   3.226527   5.684527   0.000000
    20  O    4.241907   6.852608   6.695748   5.171569   0.000000
    21  H    4.530398   5.849417   6.211874   4.110941   2.082635
    22  H    4.693478   5.943669   6.796874   3.536024   2.029469
    23  H    2.813043   5.114769   2.837971   6.116621   5.007106
    24  H    3.835644   6.838368   6.225499   5.596533   0.965844
                   21         22         23         24
    21  H    0.000000
    22  H    1.773552   0.000000
    23  H    4.644745   5.736776   0.000000
    24  H    2.365541   2.819523   4.282674   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.19D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.102422    1.009439   -0.204817
      2          6           0       -1.575246   -0.373892    0.207580
      3          6           0        0.327467    1.252072    0.249073
      4          6           0        1.222705    0.116970   -0.239843
      5          8           0        0.707410   -1.136257    0.219657
      6          6           0       -0.586987   -1.435900   -0.278785
      7          8           0       -1.905352    2.039558    0.360981
      8          1           0       -1.133486    1.074427   -1.299810
      9          8           0       -2.864026   -0.562475   -0.358015
     10          1           0       -1.620722   -0.424836    1.303059
     11          1           0        0.348165    1.272598    1.345998
     12          8           0        0.828476    2.473653   -0.276019
     13          6           0        2.640205    0.212806    0.286289
     14          1           0        1.243145    0.121854   -1.337249
     15          8           0       -0.938296   -2.717462    0.138545
     16          1           0       -0.573756   -1.464952   -1.373877
     17          1           0       -2.807685    1.926864    0.037798
     18          1           0       -3.209726   -1.411642   -0.057022
     19          1           0        0.172444    3.157148   -0.087542
     20          8           0        3.459035   -0.833582   -0.219863
     21          1           0        2.615473    0.195525    1.382232
     22          1           0        3.084876    1.152537   -0.035258
     23          1           0       -0.981520   -2.729991    1.105360
     24          1           0        3.010482   -1.665978   -0.022956
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1649958           0.7900368           0.4925077
 Leave Link  202 at Wed Mar 16 19:15:05 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       825.1283954554 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0392654173 Hartrees.
 Nuclear repulsion after empirical dispersion term =      825.0891300381 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1697
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.36D-10
 GePol: Maximum weight of points                     =    0.20322
 GePol: Number of points with low weight             =      95
 GePol: Fraction of low-weight points (<1% of avg)   =       5.60%
 GePol: Cavity surface area                          =    227.410 Ang**2
 GePol: Cavity volume                                =    233.921 Ang**3
 Leave Link  301 at Wed Mar 16 19:15:07 2022, MaxMem=  5368709120 cpu:              13.9 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  6.62D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:15:08 2022, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:15:08 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer02_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:15:08 2022, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8639427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for    257.
 Iteration    1 A*A^-1 deviation from orthogonality  is 2.25D-15 for   1668    306.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.44D-15 for    257.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.66D-15 for   1692    410.
 E= -687.338480246400    
 DIIS: error= 2.02D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.338480246400     IErMin= 1 ErrMin= 2.02D-03
 ErrMax= 2.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.35D-03 BMatP= 9.35D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.02D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.296 Goal=   None    Shift=    0.000
 GapD=    0.296 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.26D-02 MaxDP=6.88D-01              OVMax= 2.20D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.26D-02    CP:  1.01D+00
 E= -687.348106482176     Delta-E=       -0.009626235776 Rises=F Damp=F
 DIIS: error= 3.18D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.348106482176     IErMin= 2 ErrMin= 3.18D-04
 ErrMax= 3.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-04 BMatP= 9.35D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.18D-03
 Coeff-Com: -0.426D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.424D-02 0.100D+01
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=7.76D-04 MaxDP=9.53D-02 DE=-9.63D-03 OVMax= 3.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.49D-04    CP:  9.98D-01  1.03D+00
 E= -687.347971096089     Delta-E=        0.000135386087 Rises=F Damp=F
 DIIS: error= 4.30D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.348106482176     IErMin= 2 ErrMin= 3.18D-04
 ErrMax= 4.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-04 BMatP= 1.85D-04
 IDIUse=3 WtCom= 3.25D-01 WtEn= 6.75D-01
 Coeff-Com: -0.154D-01 0.615D+00 0.401D+00
 Coeff-En:   0.000D+00 0.645D+00 0.355D+00
 Coeff:     -0.502D-02 0.636D+00 0.370D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=9.06D-05 MaxDP=6.20D-03 DE= 1.35D-04 OVMax= 1.90D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.51D-05    CP:  9.99D-01  1.03D+00  9.37D-01
 E= -687.348262858061     Delta-E=       -0.000291761972 Rises=F Damp=F
 DIIS: error= 2.01D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.348262858061     IErMin= 4 ErrMin= 2.01D-05
 ErrMax= 2.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-06 BMatP= 1.85D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.356D-02 0.103D+00 0.454D-01 0.855D+00
 Coeff:     -0.356D-02 0.103D+00 0.454D-01 0.855D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=3.20D-05 MaxDP=2.54D-03 DE=-2.92D-04 OVMax= 2.79D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.88D-05    CP:  9.98D-01  1.03D+00  9.70D-01  1.15D+00
 E= -687.348263491916     Delta-E=       -0.000000633856 Rises=F Damp=F
 DIIS: error= 1.82D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.348263491916     IErMin= 5 ErrMin= 1.82D-05
 ErrMax= 1.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.88D-07 BMatP= 1.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.610D-03-0.196D-02-0.120D-01 0.449D+00 0.566D+00
 Coeff:     -0.610D-03-0.196D-02-0.120D-01 0.449D+00 0.566D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=9.12D-06 MaxDP=9.17D-04 DE=-6.34D-07 OVMax= 1.07D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.83D-06    CP:  9.98D-01  1.03D+00  9.78D-01  1.17D+00  7.53D-01
 E= -687.348264048761     Delta-E=       -0.000000556845 Rises=F Damp=F
 DIIS: error= 2.08D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.348264048761     IErMin= 6 ErrMin= 2.08D-06
 ErrMax= 2.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-08 BMatP= 5.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.292D-04-0.741D-02-0.636D-02 0.105D+00 0.196D+00 0.713D+00
 Coeff:      0.292D-04-0.741D-02-0.636D-02 0.105D+00 0.196D+00 0.713D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=1.96D-06 MaxDP=2.17D-04 DE=-5.57D-07 OVMax= 1.93D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  9.98D-01  1.03D+00  9.80D-01  1.17D+00  7.85D-01
                    CP:  9.93D-01
 E= -687.348264058289     Delta-E=       -0.000000009527 Rises=F Damp=F
 DIIS: error= 1.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.348264058289     IErMin= 7 ErrMin= 1.17D-06
 ErrMax= 1.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-09 BMatP= 1.33D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.653D-04-0.397D-02-0.246D-02 0.264D-01 0.666D-01 0.380D+00
 Coeff-Com:  0.533D+00
 Coeff:      0.653D-04-0.397D-02-0.246D-02 0.264D-01 0.666D-01 0.380D+00
 Coeff:      0.533D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=4.12D-07 MaxDP=2.83D-05 DE=-9.53D-09 OVMax= 1.02D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.08D-07    CP:  9.98D-01  1.03D+00  9.80D-01  1.17D+00  7.95D-01
                    CP:  1.00D+00  9.06D-01
 E= -687.348264060137     Delta-E=       -0.000000001849 Rises=F Damp=F
 DIIS: error= 3.28D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.348264060137     IErMin= 8 ErrMin= 3.28D-07
 ErrMax= 3.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-10 BMatP= 2.72D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-04-0.514D-03 0.417D-04-0.375D-02-0.670D-03 0.574D-01
 Coeff-Com:  0.234D+00 0.713D+00
 Coeff:      0.190D-04-0.514D-03 0.417D-04-0.375D-02-0.670D-03 0.574D-01
 Coeff:      0.234D+00 0.713D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=1.17D-07 MaxDP=7.57D-06 DE=-1.85D-09 OVMax= 2.68D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.19D-08    CP:  9.98D-01  1.03D+00  9.81D-01  1.17D+00  7.94D-01
                    CP:  1.01D+00  9.37D-01  9.27D-01
 E= -687.348264060284     Delta-E=       -0.000000000147 Rises=F Damp=F
 DIIS: error= 7.89D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.348264060284     IErMin= 9 ErrMin= 7.89D-08
 ErrMax= 7.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-11 BMatP= 1.84D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.457D-05-0.412D-04 0.140D-03-0.272D-02-0.298D-02 0.968D-02
 Coeff-Com:  0.824D-01 0.324D+00 0.589D+00
 Coeff:      0.457D-05-0.412D-04 0.140D-03-0.272D-02-0.298D-02 0.968D-02
 Coeff:      0.824D-01 0.324D+00 0.589D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=3.96D-08 MaxDP=3.51D-06 DE=-1.47D-10 OVMax= 5.98D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.68D-08    CP:  9.98D-01  1.03D+00  9.81D-01  1.17D+00  7.94D-01
                    CP:  1.01D+00  9.49D-01  9.19D-01  8.48D-01
 E= -687.348264060340     Delta-E=       -0.000000000055 Rises=F Damp=F
 DIIS: error= 1.54D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.348264060340     IErMin=10 ErrMin= 1.54D-08
 ErrMax= 1.54D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.67D-13 BMatP= 1.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.599D-06 0.211D-04 0.527D-04-0.872D-03-0.112D-02-0.586D-03
 Coeff-Com:  0.148D-01 0.770D-01 0.257D+00 0.653D+00
 Coeff:      0.599D-06 0.211D-04 0.527D-04-0.872D-03-0.112D-02-0.586D-03
 Coeff:      0.148D-01 0.770D-01 0.257D+00 0.653D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=1.20D-08 MaxDP=1.20D-06 DE=-5.55D-11 OVMax= 1.41D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.37D-09    CP:  9.98D-01  1.03D+00  9.81D-01  1.17D+00  7.94D-01
                    CP:  1.01D+00  9.49D-01  9.26D-01  8.75D-01  9.02D-01
 E= -687.348264060299     Delta-E=        0.000000000041 Rises=F Damp=F
 DIIS: error= 5.68D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -687.348264060340     IErMin=11 ErrMin= 5.68D-09
 ErrMax= 5.68D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-14 BMatP= 7.67D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.589D-07 0.139D-04 0.154D-04-0.250D-03-0.333D-03-0.101D-02
 Coeff-Com:  0.974D-03 0.136D-01 0.817D-01 0.297D+00 0.608D+00
 Coeff:     -0.589D-07 0.139D-04 0.154D-04-0.250D-03-0.333D-03-0.101D-02
 Coeff:      0.974D-03 0.136D-01 0.817D-01 0.297D+00 0.608D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=2.59D-09 MaxDP=2.36D-07 DE= 4.09D-11 OVMax= 4.82D-08

 Error on total polarization charges =  0.01550
 SCF Done:  E(RB3LYP) =  -687.348264060     A.U. after   11 cycles
            NFock= 11  Conv=0.26D-08     -V/T= 2.0058
 KE= 6.833880251574D+02 PE=-3.262436644542D+03 EE= 1.066611225286D+03
 Leave Link  502 at Wed Mar 16 19:19:31 2022, MaxMem=  5368709120 cpu:            2093.1 elap:             262.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.64290151D+02

 Leave Link  801 at Wed Mar 16 19:19:31 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8639427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for    257.
 Iteration    1 A*A^-1 deviation from orthogonality  is 2.25D-15 for   1668    306.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.44D-15 for    257.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.66D-15 for   1692    410.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.82D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 2.19D-01 5.37D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 4.87D-02 3.18D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.48D-03 8.92D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 4.42D-04 2.96D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 2.30D-05 4.51D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 6.73D-07 6.36D-05.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 1.85D-08 1.02D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 3.28D-10 1.28D-06.
      9 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 5.16D-12 1.96D-07.
      3 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 6.34D-14 1.88D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.124757D+03
      2  0.175015D+01  0.119643D+03
      3 -0.573226D-03 -0.302146D+00  0.997032D+02
 Isotropic polarizability for W=    0.088559      114.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.322453D+02 -0.188580D+02 -0.879808D+01
      2  -0.268853D+02  0.205035D+02  0.556178D+01
      3  -0.536007D+01 -0.164554D+01  0.323629D+01
      4  -0.220618D+00 -0.712063D+01  0.165277D+01
      5  -0.491650D+01  0.174592D+01  0.127104D+02
      6  -0.422978D+01  0.611869D+01  0.566506D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.302934D+00 -0.364920D+01 -0.358753D+01
      2  -0.284242D+01  0.167742D+01  0.759262D+01
      3   0.120719D+02 -0.137717D+02 -0.306936D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.931510D-01  0.556914D+00 -0.731060D+01
      2  -0.388158D+01  0.588255D+01  0.180705D+02
      3   0.186374D+02 -0.197646D+02 -0.597571D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.672681D+00  0.120732D+01 -0.705252D+00
      2   0.120732D+01  0.874258D-01  0.133299D+01
      3  -0.705252D+00  0.133299D+01 -0.503748D+00
 OR G Eigenvalues:    -2.5276     0.1051     1.3334  Iso=     0.3630
 Eigenvectors:
   (1)   0.588081  -0.566017   0.577742
   (2)   0.739016   0.085776  -0.668205
   (3)   0.328660   0.819919   0.468739
 w=    0.088559 a.u., Optical Rotation Beta=      0.3630 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      102.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.68D+02
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     194
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.64D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.69D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 7.98D-02 2.23D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.58D-03 4.88D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 1.57D-05 3.93D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 1.53D-07 3.59D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.08D-09 3.45D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 3.92D-12 1.39D-07.
     10 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 8.94D-15 9.37D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 5.23D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 5.23D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124757D+03  0.175015D+01 -0.573226D-03
      2   0.175015D+01  0.119643D+03 -0.302146D+00
      3  -0.573226D-03 -0.302146D+00  0.997032D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.302934D+00 -0.364920D+01 -0.358753D+01
      2  -0.284242D+01  0.167742D+01  0.759262D+01
      3   0.120719D+02 -0.137717D+02 -0.306936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.322453D+02 -0.188580D+02 -0.879808D+01
      2  -0.268853D+02  0.205035D+02  0.556178D+01
      3  -0.536007D+01 -0.164554D+01  0.323629D+01
      4  -0.220618D+00 -0.712063D+01  0.165277D+01
      5  -0.491650D+01  0.174592D+01  0.127104D+02
      6  -0.422978D+01  0.611869D+01  0.566506D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.299787D+01 -0.291360D+01 -0.133978D+01 -0.335176D+01  0.347093D+01
      2  -0.291360D+01  0.421391D+01  0.335499D+00  0.347093D+01  0.430867D+00
      3  -0.133978D+01  0.335499D+00 -0.125001D+01  0.468889D+00 -0.122378D+01
                 6             7             8             9            10 
      1   0.468889D+00 -0.175807D+01  0.930264D+00  0.169353D+00  0.462957D+01
      2  -0.122378D+01  0.930264D+00 -0.211662D+01 -0.984693D+00  0.239918D+01
      3   0.723851D+00  0.169353D+00 -0.984693D+00  0.118976D+02  0.180017D+01
                11            12            13            14            15 
      1   0.239918D+01  0.180017D+01  0.240873D+01 -0.317241D+01 -0.206792D+00
      2  -0.221747D+01  0.789756D-01 -0.317241D+01 -0.191970D+01  0.735923D+00
      3   0.789756D-01 -0.206783D+01 -0.206792D+00  0.735923D+00  0.721206D+00
                16            17            18            19            20 
      1   0.333328D+01 -0.280310D+00  0.512854D+00  0.262325D+01  0.263295D+01
      2  -0.280310D+00  0.778458D+00  0.727895D+00  0.263295D+01 -0.345417D+01
      3   0.512854D+00  0.727895D+00 -0.119127D+02  0.109504D+01  0.197239D+00
                21            22            23            24            25 
      1   0.109504D+01  0.211457D+01 -0.456163D+01 -0.493121D-01  0.153031D+01
      2   0.197239D+00 -0.456163D+01 -0.273664D+01  0.153423D+01  0.567006D+00
      3   0.446776D+00 -0.493121D-01  0.153423D+01  0.186023D+01 -0.362578D+00
                26            27            28            29            30 
      1   0.567006D+00 -0.362578D+00 -0.236173D+01 -0.336606D+00 -0.121116D+01
      2   0.282566D+01  0.269521D+00 -0.336606D+00  0.393003D+01 -0.382433D+00
      3   0.269521D+00 -0.119304D+02 -0.121116D+01 -0.382433D+00 -0.561932D+00
                31            32            33            34            35 
      1   0.526454D+00  0.521740D+01  0.773635D+00 -0.189589D+01  0.183319D+00
      2   0.521740D+01  0.284137D+01 -0.127582D+01  0.183319D+00 -0.204351D+01
      3   0.773635D+00 -0.127582D+01 -0.120196D+01 -0.574721D+00  0.197552D+00
                36            37            38            39            40 
      1  -0.574721D+00  0.762152D+01 -0.311999D-01  0.902241D+00 -0.153700D+01
      2   0.197552D+00 -0.311999D-01 -0.158972D+00 -0.810943D+00 -0.833889D+00
      3   0.124357D+02  0.902241D+00 -0.810943D+00 -0.299715D+00 -0.468721D+00
                41            42            43            44            45 
      1  -0.833889D+00 -0.468721D+00  0.371360D+01  0.804704D+00  0.627356D+00
      2  -0.521236D+01  0.864617D+00  0.804704D+00  0.243286D+01 -0.786225D+00
      3   0.864617D+00  0.100702D+01  0.627356D+00 -0.786225D+00 -0.221722D+01
                46            47            48            49            50 
      1  -0.478395D+01 -0.384830D+01 -0.797223D+00 -0.219715D+01  0.251573D+01
      2  -0.384830D+01  0.105425D+01  0.111293D+01  0.251573D+01  0.160649D+01
      3  -0.797223D+00  0.111293D+01  0.303121D+00  0.146966D+00 -0.199963D+00
                51            52            53            54            55 
      1   0.146966D+00 -0.295327D+01  0.897680D-01  0.592093D-03  0.389040D+01
      2  -0.199963D+00  0.897680D-01 -0.187366D+01  0.607575D+00  0.222954D+01
      3  -0.326672D+01  0.592093D-03  0.607575D+00  0.117380D+02  0.206439D+01
                56            57            58            59            60 
      1   0.222954D+01  0.206439D+01  0.343091D+01 -0.344623D+01 -0.288963D+00
      2  -0.165751D+01 -0.143253D+00 -0.344623D+01  0.779788D+01  0.137409D+01
      3  -0.143253D+00  0.159033D+01 -0.288963D+00  0.137409D+01 -0.267829D+00
                61            62            63            64            65 
      1   0.405874D+01 -0.147654D+01 -0.803944D+00  0.541204D+00  0.414881D+00
      2  -0.147654D+01  0.291993D+01  0.175566D+01  0.414881D+00 -0.743102D+00
      3  -0.803944D+00  0.175566D+01  0.107546D+00 -0.102395D+01  0.560208D-01
                66            67            68            69            70 
      1  -0.102395D+01  0.582992D+00 -0.617779D+00  0.933078D-01 -0.222732D+01
      2   0.560208D-01 -0.617779D+00  0.629337D-01 -0.114696D+01  0.135137D+00
      3   0.352002D-01  0.933078D-01 -0.114696D+01  0.506528D+00 -0.545199D+00
                71            72            73            74            75 
      1   0.135137D+00 -0.545199D+00 -0.889709D+01  0.292114D+00 -0.167038D+01
      2  -0.209391D+01  0.934803D+00  0.292114D+00  0.128791D+01 -0.561541D+00
      3   0.934803D+00 -0.978985D+01 -0.167038D+01 -0.561541D+00  0.131008D+01
                76            77            78            79            80 
      1   0.351226D+01  0.123921D+01 -0.262078D+00 -0.438973D+01 -0.126432D+01
      2   0.123921D+01  0.450705D+01 -0.161355D+01 -0.126432D+01 -0.238231D+01
      3  -0.262078D+00 -0.161355D+01  0.140295D+01 -0.176631D+01 -0.120081D+00
                81            82            83            84            85 
      1  -0.176631D+01 -0.871041D+00 -0.384950D+00  0.110475D+01 -0.470238D+00
      2  -0.120081D+00 -0.384950D+00  0.522844D+00  0.293997D-01  0.452651D+00
      3  -0.209684D+00  0.110475D+01  0.293997D-01 -0.685838D-01  0.469525D-01
                86            87            88            89            90 
      1   0.452651D+00  0.469525D-01  0.208117D+01  0.206569D+00 -0.786321D+00
      2   0.911662D-01  0.121510D+01  0.206569D+00  0.211125D+01 -0.628146D+00
      3   0.121510D+01 -0.634537D+00 -0.786321D+00 -0.628146D+00  0.980108D+01
                91            92            93            94            95 
      1  -0.154984D+00 -0.535237D+00  0.109541D+01 -0.337725D+00  0.718920D+00
      2  -0.535237D+00  0.654355D+00  0.599985D-01  0.718920D+00  0.537535D+00
      3   0.109541D+01  0.599985D-01  0.160246D+00  0.999121D-01  0.112996D+01
                96            97            98            99           100 
      1   0.999121D-01  0.215221D+01 -0.991536D-01  0.426730D+00  0.477935D+01
      2   0.112996D+01 -0.991536D-01  0.214460D+01  0.556432D+00  0.814195D+00
      3   0.306636D-01  0.426730D+00  0.556432D+00  0.100531D+02 -0.118197D+01
               101           102           103           104           105 
      1   0.814195D+00 -0.118197D+01 -0.436111D+00  0.506003D+01  0.168340D+00
      2   0.679523D+01 -0.904751D-02  0.506003D+01  0.331711D+01 -0.120731D+01
      3  -0.904751D-02  0.516755D+00  0.168340D+00 -0.120731D+01 -0.163623D+01
               106           107           108           109           110 
      1  -0.154074D+01 -0.385562D+00  0.983992D+00  0.282325D+01  0.417790D+00
      2  -0.385562D+00 -0.333134D+01  0.142663D+01  0.417790D+00 -0.315061D+01
      3   0.983992D+00  0.142663D+01  0.143259D+00  0.216835D+01  0.525080D+00
               111           112           113           114           115 
      1   0.216835D+01  0.859510D+00 -0.568421D+01  0.793141D-01  0.308875D+01
      2   0.525080D+00 -0.568421D+01 -0.365432D+01  0.173953D+01 -0.189859D+00
      3   0.180304D+01  0.793141D-01  0.173953D+01 -0.839780D+00 -0.115617D+01
               116           117           118           119           120 
      1  -0.189859D+00 -0.115617D+01  0.120279D+01  0.274688D+00 -0.120788D+01
      2   0.209545D+01 -0.183143D+01  0.274688D+00 -0.434036D+00  0.872859D-01
      3  -0.183143D+01 -0.103495D+02 -0.120788D+01  0.872859D-01  0.858084D+00
               121           122           123           124           125 
      1   0.224409D+00 -0.516805D+00 -0.352959D+00 -0.255797D+01 -0.283082D+00
      2  -0.516805D+00 -0.251614D-01 -0.118590D+01 -0.283082D+00 -0.196702D+01
      3  -0.352959D+00 -0.118590D+01  0.198931D+00  0.136956D+01  0.302076D+00
               126           127           128           129           130 
      1   0.136956D+01 -0.110857D+01 -0.171635D+01  0.259869D+00 -0.179616D+01
      2   0.302076D+00 -0.171635D+01 -0.875593D+00 -0.237794D+00 -0.156675D+01
      3  -0.100304D+02  0.259869D+00 -0.237794D+00  0.830767D+00 -0.307719D+00
               131           132           133           134           135 
      1  -0.156675D+01 -0.307719D+00 -0.261030D+00 -0.339740D+00  0.513741D+00
      2  -0.101445D+02 -0.314574D+00 -0.339740D+00 -0.207619D+01  0.729214D+00
      3  -0.314574D+00  0.161964D+01  0.513741D+00  0.729214D+00 -0.727746D+01
               136           137           138           139           140 
      1   0.338906D+00  0.150121D+00 -0.128445D+01  0.149904D+00 -0.523699D+00
      2   0.150121D+00 -0.262951D+00 -0.219655D+00 -0.523699D+00 -0.113825D+01
      3  -0.128445D+01 -0.219655D+00 -0.294105D-01  0.197212D-01 -0.115609D+01
               141           142           143           144           145 
      1   0.197212D-01 -0.214894D+01 -0.563596D+00 -0.495004D+00 -0.100332D+02
      2  -0.115609D+01 -0.563596D+00 -0.217964D+01 -0.190072D+01  0.214764D+01
      3  -0.317516D+00 -0.495004D+00 -0.190072D+01 -0.100010D+02 -0.876781D+00
               146           147           148           149           150 
      1   0.214764D+01 -0.876781D+00  0.366935D+00 -0.703923D+00 -0.423643D-01
      2  -0.250313D+01 -0.613751D-01 -0.703923D+00  0.312500D+00 -0.231288D+00
      3  -0.613751D-01 -0.184300D+01 -0.423643D-01 -0.231288D+00  0.278696D+00
               151           152           153           154           155 
      1  -0.247022D+01  0.433981D+00 -0.995239D+00 -0.370259D+01 -0.257248D+01
      2   0.433981D+00 -0.748297D+00  0.332653D+00 -0.257248D+01 -0.301330D+01
      3  -0.995239D+00  0.332653D+00 -0.255103D+00  0.292157D+00  0.230492D+00
               156           157           158           159           160 
      1   0.292157D+00 -0.505584D+01 -0.365052D+01  0.211855D+00  0.147386D+01
      2   0.230492D+00 -0.365052D+01 -0.591785D+01  0.711398D+00  0.984863D+00
      3  -0.105822D+01  0.211855D+00  0.711398D+00 -0.144627D+01 -0.758068D+00
               161           162           163           164           165 
      1   0.984863D+00 -0.758068D+00 -0.245684D+01  0.154274D+01  0.337075D+00
      2   0.157471D+01 -0.671377D+00  0.154274D+01 -0.459674D+01 -0.530759D-01
      3  -0.671377D+00  0.232446D+00  0.337075D+00 -0.530759D-01 -0.683739D+00
               166           167           168           169           170 
      1   0.228681D+01 -0.171085D+01 -0.185501D+00  0.531077D+00 -0.277081D+00
      2  -0.171085D+01  0.797982D+01  0.203010D+00 -0.277081D+00  0.104581D+01
      3  -0.185501D+00  0.203010D+00  0.155224D+01 -0.132627D+00  0.733075D+00
               171           172           173           174           175 
      1  -0.132627D+00  0.891551D+01 -0.282089D+01 -0.155263D+01 -0.119133D+01
      2   0.733075D+00 -0.282089D+01  0.404108D+01 -0.154406D+00  0.439227D+01
      3  -0.823307D-01 -0.155263D+01 -0.154406D+00  0.146773D+00 -0.102862D-01
               176           177           178           179           180 
      1   0.439227D+01 -0.102862D-01 -0.290061D+01  0.790457D+00  0.203911D+01
      2   0.219075D+01 -0.937216D+00  0.790457D+00 -0.190514D+01 -0.722465D+00
      3  -0.937216D+00  0.140983D+01  0.203911D+01 -0.722465D+00 -0.486877D+00
               181           182           183           184           185 
      1  -0.473742D+00  0.330163D+00  0.114157D+01 -0.356735D+00  0.855466D+00
      2   0.330163D+00  0.338055D+00 -0.143945D+00  0.855466D+00  0.531483D+00
      3   0.114157D+01 -0.143945D+00 -0.425392D+00 -0.181401D-01  0.103270D+01
               186           187           188           189           190 
      1  -0.181401D-01  0.263591D+01 -0.212147D+00  0.157898D+01  0.305602D+01
      2   0.103270D+01 -0.212147D+00  0.181732D+01  0.140843D+01  0.250502D+01
      3  -0.170672D+00  0.157898D+01  0.140843D+01  0.104596D+02 -0.863956D+00
               191           192           193           194           195 
      1   0.250502D+01 -0.863956D+00  0.382424D+01  0.333055D+01 -0.286987D+00
      2   0.269213D+01 -0.286154D+00  0.333055D+01  0.685150D+01 -0.107034D+01
      3  -0.286154D+00  0.695908D+00 -0.286987D+00 -0.107034D+01  0.110571D+01
               196           197           198           199           200 
      1  -0.195136D+01 -0.533834D+00  0.992442D+00 -0.407200D+00 -0.469525D+00
      2  -0.533834D+00 -0.198527D+01  0.119008D+01 -0.469525D+00 -0.456286D+00
      3   0.992442D+00  0.119008D+01 -0.121133D+00  0.506691D+00  0.239281D+00
               201           202           203           204           205 
      1   0.506691D+00 -0.525308D+00 -0.206912D+00  0.123918D+00  0.179952D+01
      2   0.239281D+00 -0.206912D+00 -0.129441D+01  0.723758D+00  0.629493D+00
      3  -0.390015D+00  0.123918D+00  0.723758D+00 -0.860898D+00 -0.947220D+00
               206           207           208           209           210 
      1   0.629493D+00 -0.947220D+00 -0.217302D+01 -0.521877D+00  0.242447D+00
      2   0.386937D+01 -0.296783D+01 -0.521877D+00 -0.200594D+01  0.111420D+00
      3  -0.296783D+01  0.769945D+01  0.242447D+00  0.111420D+00 -0.192324D-01
               211           212           213           214           215 
      1  -0.303236D+01 -0.575489D-01  0.247011D+00  0.656709D+00  0.149663D+00
      2  -0.575489D-01 -0.701524D+01  0.298486D+00  0.149663D+00  0.108748D+01
      3   0.247011D+00  0.298486D+00 -0.177508D+01  0.108691D+00 -0.558624D+00
               216 
      1   0.108691D+00
      2  -0.558624D+00
      3   0.959299D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.149125D+01  0.212916D+00 -0.125938D+01 -0.205287D+01  0.556287D+00
      2   0.181654D+01 -0.564705D+00  0.214876D+00 -0.324467D+00  0.258378D+01
      3  -0.375724D+01 -0.149456D+01 -0.130541D+01  0.323907D+01  0.256775D+01
                 6             7             8             9            10 
      1   0.275690D+00 -0.196337D+00  0.452428D+01 -0.941173D+01  0.102366D+01
      2   0.984387D+00 -0.296029D+01  0.667023D+00 -0.107411D+02 -0.255579D+01
      3  -0.180138D+00  0.311159D+00 -0.199858D+01 -0.864580D+00  0.727464D+00
                11            12            13            14            15 
      1  -0.991143D+00 -0.293142D+00  0.486093D+00 -0.141927D+01 -0.108910D+01
      2  -0.174812D+01  0.675565D+00 -0.240599D+00 -0.265080D+01 -0.240166D+01
      3  -0.620926D+01 -0.762039D+00 -0.780333D+00 -0.849909D+00  0.229849D+01
                16            17            18            19            20 
      1  -0.574768D+00  0.267295D+01 -0.558064D+01 -0.100877D+01 -0.431990D+00
      2  -0.420423D+01 -0.149532D+01  0.141464D+02 -0.126233D+01  0.437071D+00
      3  -0.226118D+01  0.170958D+01  0.877647D+00  0.161059D+01  0.858781D+00
                21            22            23            24            25 
      1   0.121613D+01 -0.334953D+00 -0.250814D+01  0.286842D+00  0.157648D+01
      2   0.140061D+01 -0.117670D+01  0.400623D+00 -0.463564D+00 -0.339801D+01
      3   0.143306D+01  0.665493D+01 -0.522452D+01 -0.160735D+01  0.155628D+01
                26            27            28            29            30 
      1   0.290236D+01  0.113857D+02  0.958104D+00 -0.352336D+00  0.189854D+01
      2  -0.278269D+00 -0.268394D+01 -0.242767D+01 -0.604190D+00 -0.633824D+00
      3   0.528960D+00 -0.740496D+00 -0.593143D+01 -0.101833D+02 -0.428235D+00
                31            32            33            34            35 
      1  -0.114812D+01  0.175637D+01  0.276902D+01  0.190592D+01  0.304281D+01
      2  -0.111904D+01 -0.174837D+01 -0.294584D+01 -0.469231D+01  0.226752D+01
      3  -0.832520D+01 -0.249751D+01  0.245014D+01  0.573322D-02  0.127334D+01
                36            37            38            39            40 
      1  -0.474876D+01  0.121229D+01  0.245025D+00 -0.375603D+01  0.871238D+00
      2   0.190472D+02  0.973313D+00  0.596670D+00  0.111333D+02  0.271491D+00
      3  -0.594248D+00 -0.101358D+02 -0.863936D+01 -0.111800D+01  0.133505D+02
                41            42            43            44            45 
      1   0.502721D+00 -0.777159D+01  0.285536D+01  0.539909D+01 -0.146502D-01
      2   0.135457D+01  0.325217D+01 -0.673184D+01 -0.274347D+01  0.835413D+00
      3   0.578714D+01 -0.918963D+00 -0.438446D+01 -0.264299D+01 -0.449704D+00
                46            47            48            49            50 
      1  -0.765772D+00  0.212837D+00  0.250357D+01 -0.195782D+00 -0.869594D+00
      2   0.127403D+01  0.976028D-01 -0.707678D+01 -0.689925D+00  0.129468D+01
      3   0.373423D+01  0.719608D+01  0.152615D+01  0.419061D+01  0.215106D+01
                51            52            53            54            55 
      1  -0.115460D+01 -0.163127D+01  0.303194D+01  0.153233D+02 -0.429645D+01
      2  -0.146879D+00 -0.382103D+01 -0.229983D+01 -0.115862D+02 -0.781460D+01
      3  -0.180776D+01  0.389757D+01 -0.157472D+01  0.534465D+00  0.155388D+02
                56            57            58            59            60 
      1   0.620670D-01  0.674848D-01  0.158728D+01 -0.234640D+01 -0.654803D+01
      2   0.230529D+01  0.153478D+01  0.596871D+00 -0.219398D+01 -0.275929D+01
      3  -0.278859D+01  0.332659D+01  0.843422D+01  0.946406D+01  0.110727D+01
                61            62            63            64            65 
      1   0.329924D+00  0.146424D+01 -0.260152D+01  0.711238D+00 -0.368981D-01
      2  -0.499334D+01 -0.171262D+01 -0.269696D+01  0.153307D+01 -0.194056D+00
      3   0.699684D+01  0.420344D+01  0.173445D+01  0.877230D+00 -0.150839D+01
                66            67            68            69            70 
      1  -0.519779D+00 -0.282825D-01  0.138181D+01 -0.113217D+01 -0.185740D-02
      2   0.105904D+01 -0.300287D-01  0.797260D+00  0.840183D-01 -0.438871D+01
      3  -0.815706D+00  0.113752D+01 -0.486086D+00 -0.113355D+01 -0.238963D+01
                71            72            73            74            75 
      1   0.410770D+01  0.904999D+01 -0.228415D+01 -0.105039D+01  0.980958D-01
      2  -0.563033D+00  0.105238D+02  0.521745D+01  0.327523D+01  0.648048D+01
      3  -0.215652D+01  0.711601D+00  0.924761D+01 -0.347106D+01 -0.483009D+00
                76            77            78            79            80 
      1  -0.320646D+01 -0.286800D+01 -0.117964D+01  0.744739D+00  0.500810D+01
      2   0.248272D+01  0.560000D+01 -0.310207D+01 -0.108382D+01 -0.961075D+00
      3   0.653588D+01  0.175141D+02 -0.358913D+01  0.566187D+00 -0.807825D+01
                81            82            83            84            85 
      1  -0.980879D+00  0.324758D+00  0.416712D+00  0.496264D+00  0.604130D+00
      2   0.371078D+01 -0.172781D+01  0.452519D-01  0.737590D+00  0.364971D+00
      3   0.112078D+01 -0.781661D-02 -0.246765D+00 -0.308475D+00  0.191566D+01
                86            87            88            89            90 
      1   0.687667D+00 -0.198693D+01 -0.131346D-01  0.464574D+01  0.382580D+01
      2  -0.180125D+01  0.479275D+00 -0.375705D+01  0.733064D+00 -0.143118D+02
      3   0.284209D+00  0.140008D+01 -0.728545D+00  0.331919D+01 -0.321149D-01
                91            92            93            94            95 
      1  -0.167975D+01  0.147655D+00  0.133385D+00 -0.114804D+00 -0.133731D+01
      2   0.384449D+00  0.642067D+00  0.906746D+00  0.592244D+00  0.220351D+00
      3   0.894062D-01 -0.187426D+01  0.129959D+01  0.612666D+00  0.517155D+00
                96            97            98            99           100 
      1  -0.809045D+00 -0.563576D+00  0.417083D+01 -0.116373D+02  0.283834D+01
      2  -0.332911D+00 -0.532505D+01  0.201777D+00  0.234264D+01  0.196602D-01
      3  -0.160429D+00  0.279753D+01 -0.106282D+01  0.191597D+00  0.152883D+02
               101           102           103           104           105 
      1  -0.114482D+01 -0.428198D+01 -0.878592D+00  0.545052D+01 -0.456106D+01
      2  -0.162184D+01  0.404103D+01  0.598700D+00  0.496478D+00  0.177647D+01
      3  -0.116343D+02 -0.217671D+01 -0.610910D+00  0.977546D+01  0.154932D+01
               106           107           108           109           110 
      1  -0.250500D+01  0.230971D+01  0.248694D+01 -0.204986D+01 -0.157063D+01
      2  -0.303862D+01  0.122309D+01 -0.597345D+00  0.479379D+01  0.151897D+01
      3  -0.524269D+01  0.173431D+01  0.108791D+01  0.344593D+01  0.807799D+01
               111           112           113           114           115 
      1  -0.292425D+01 -0.307207D+01 -0.380760D+01  0.126171D+01  0.323455D+00
      2   0.227778D+01  0.220574D+01  0.639774D+01  0.522356D+00 -0.756097D+01
      3  -0.766813D+00  0.181901D+02  0.614963D+01 -0.475022D+01  0.769142D+00
               116           117           118           119           120 
      1   0.227317D+01  0.589194D+01  0.380968D+00  0.517523D+00  0.419936D+00
      2  -0.472328D+01 -0.251259D+02 -0.135916D+01  0.273970D+00  0.241904D+01
      3  -0.604691D+01  0.458439D+01 -0.127768D+00  0.234798D+00 -0.549349D+00
               121           122           123           124           125 
      1   0.208023D+00  0.113073D+00 -0.929463D+00 -0.136345D+00  0.465113D+01
      2  -0.533594D+00 -0.189228D+01  0.383235D+00 -0.404221D+01  0.534995D-01
      3   0.288876D+01 -0.785381D+00  0.179070D+01 -0.282711D+00  0.346180D+01
               126           127           128           129           130 
      1   0.298394D+01  0.333665D+00 -0.923645D+00  0.121501D+01 -0.241977D+00
      2  -0.138445D+02 -0.393665D+00 -0.141974D+01  0.479752D+01  0.749749D+00
      3  -0.125617D+01  0.191541D+01 -0.263112D+01  0.404857D+00  0.110821D+02
               131           132           133           134           135 
      1   0.106647D+00 -0.550172D+01  0.295646D+01  0.636125D+01 -0.205042D+02
      2   0.805141D-02  0.359455D+00 -0.112629D+01 -0.797949D+00  0.615625D+01
      3  -0.596801D+01  0.504906D+00  0.343185D-01  0.148047D+00 -0.923248D+00
               136           137           138           139           140 
      1  -0.224170D+01 -0.301826D+00 -0.339975D+00  0.392822D+00 -0.129324D+01
      2   0.101180D+01  0.110139D+00  0.105133D+01  0.707625D+00  0.791904D+00
      3  -0.201559D+00 -0.197969D+01  0.216440D+01  0.226012D+00  0.396480D+00
               141           142           143           144           145 
      1  -0.103263D+01 -0.132388D+00  0.293117D+01 -0.140873D+02  0.275666D+01
      2  -0.359738D-01 -0.466735D+01  0.113561D+01  0.839434D+01  0.624018D+01
      3  -0.702897D+00  0.372895D+01 -0.528076D+00  0.430504D+00 -0.196070D+02
               146           147           148           149           150 
      1  -0.119831D+00  0.344798D+01  0.174395D+00  0.687692D+00 -0.198781D+00
      2  -0.859823D+00  0.569323D+01  0.446056D-01  0.510284D+00 -0.346064D+00
      3  -0.345643D+01 -0.253469D+01 -0.115221D+01 -0.244213D+01 -0.793245D+00
               151           152           153           154           155 
      1   0.208908D+01  0.134186D+00  0.616743D+00  0.130147D+01  0.149394D+01
      2   0.267780D+01 -0.881070D+00  0.119382D+01 -0.197874D+01 -0.170680D+01
      3  -0.539408D+01 -0.143240D+01 -0.151156D+01 -0.542574D+01 -0.764147D+01
               156           157           158           159           160 
      1  -0.145798D+01  0.234735D+01  0.275803D+01 -0.269081D+01 -0.128370D+01
      2   0.314700D+01 -0.244622D+01 -0.412587D+01  0.488215D+01  0.164590D+01
      3   0.541957D+00 -0.550293D+01 -0.187380D+02  0.241467D+01  0.146176D+01
               161           162           163           164           165 
      1  -0.523375D+00  0.740262D+00 -0.180003D+01  0.171178D+01  0.285189D+01
      2   0.252319D+01 -0.948168D+00 -0.275770D+00  0.695145D+00 -0.188535D+00
      3   0.509392D+01 -0.149086D+01 -0.122697D+02  0.846163D+01  0.146305D+01
               166           167           168           169           170 
      1   0.143427D+01 -0.259956D+01 -0.483402D+01  0.685858D+00 -0.143520D+01
      2   0.454561D+00 -0.993036D+00 -0.143191D+00 -0.904551D+00  0.104194D+00
      3   0.102045D+02 -0.123303D+02 -0.812054D+00  0.262812D+01 -0.169473D+01
               171           172           173           174           175 
      1  -0.197537D+00 -0.517398D+00 -0.662093D+00  0.411048D+01  0.395859D+00
      2  -0.224029D+00 -0.519631D+01  0.106614D+01  0.794945D+01 -0.145773D+01
      3  -0.947615D+00  0.208454D+01 -0.214952D+02  0.119260D+00 -0.123448D+02
               176           177           178           179           180 
      1  -0.281366D+01 -0.400645D+01 -0.265676D+00  0.490948D+01 -0.213896D+01
      2  -0.327051D+01  0.117395D+00  0.235367D+01 -0.218874D+01 -0.312133D+01
      3  -0.103480D+02  0.348244D+01  0.502781D+00  0.732437D+01  0.201992D+01
               181           182           183           184           185 
      1  -0.321910D+00  0.111746D+00  0.352972D-01  0.519733D+00 -0.249726D+00
      2   0.410038D+01 -0.791524D+00 -0.326827D+00 -0.168579D+00  0.255239D+01
      3  -0.140402D+01 -0.148476D+01  0.824562D+00 -0.115971D+01 -0.981235D+00
               186           187           188           189           190 
      1  -0.311312D+00 -0.117955D+01  0.404866D+01 -0.465713D+01  0.166415D+01
      2  -0.491684D+00 -0.152508D+01  0.428670D+01  0.273723D+02 -0.281635D+01
      3  -0.252981D+01  0.189598D+01 -0.500071D+01 -0.351724D+01 -0.468965D+01
               191           192           193           194           195 
      1   0.937755D+00 -0.152256D+01  0.136703D+01  0.268237D+01 -0.321255D+01
      2  -0.133999D+01  0.337971D+01 -0.138138D+01 -0.414195D+01  0.401034D+01
      3  -0.750590D+01  0.353523D+00 -0.423868D+01 -0.193867D+02  0.308616D+01
               196           197           198           199           200 
      1  -0.957131D+00 -0.167208D+00  0.538759D+00  0.145925D+01  0.586671D+00
      2   0.198781D+01  0.351160D+01 -0.860676D+00 -0.747677D+00 -0.587934D+00
      3  -0.191212D+00  0.581586D+01 -0.283274D+01  0.533174D+00  0.359940D+00
               201           202           203           204           205 
      1  -0.127281D+01  0.187419D+00  0.279409D+01 -0.217040D+01 -0.320123D+01
      2   0.200969D+00 -0.614685D+00 -0.884624D+00  0.970155D+00 -0.187851D+01
      3  -0.123467D+01  0.101522D+01 -0.541644D+00  0.363573D+00 -0.429971D+01
               206           207           208           209           210 
      1  -0.615329D+01  0.232702D+02  0.509989D+00  0.928973D+00 -0.866197D+00
      2   0.272402D+01 -0.698943D+01  0.119233D+01  0.224141D+00 -0.102234D+01
      3   0.176057D+01  0.130843D+00  0.759194D+01  0.923199D+01 -0.824415D+00
               211           212           213           214           215 
      1   0.697150D+00  0.278629D+01 -0.332468D+01  0.477276D-01 -0.486520D+00
      2   0.111368D+01  0.694583D+00 -0.465229D+01 -0.943095D+00 -0.166075D+01
      3   0.681428D+01  0.268465D+02 -0.146453D+01 -0.197816D+01 -0.415669D+01
               216 
      1   0.297712D+00
      2   0.109139D-01
      3   0.173647D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.712631D+01 -0.209376D+01  0.734421D-01  0.656299D+01 -0.247007D+00
      2  -0.689137D+01  0.127873D+02 -0.182539D+01  0.226499D+01 -0.807841D+01
      3  -0.234939D+00 -0.106935D+02  0.175195D+01 -0.882798D+01  0.832541D+01
      4   0.938555D+01 -0.160970D+02 -0.198708D+01 -0.194244D+02  0.115308D+02
      5   0.487330D+01 -0.228168D+01 -0.387757D+01 -0.484369D+01  0.169166D+01
      6  -0.154417D+01  0.408758D+01  0.390557D+01  0.393007D+01 -0.427839D+01
                 6             7             8             9            10 
      1   0.748134D+00  0.420743D+01  0.395312D+00  0.109362D+02 -0.267915D+02
      2   0.366746D+00  0.138180D+01 -0.768286D+01  0.812724D+01  0.132627D+02
      3  -0.111488D+01 -0.558923D+01  0.728755D+01 -0.190634D+02  0.135288D+02
      4   0.279465D+01 -0.488733D+01  0.832102D+01  0.276086D+01 -0.863769D+01
      5   0.381743D+01 -0.973802D-01  0.314413D+01 -0.262380D+02 -0.919828D+01
      6  -0.716996D+01  0.207538D+01 -0.188345D+01  0.241187D+02 -0.158308D+01
                11            12            13            14            15 
      1  -0.819149D+01 -0.257716D+01 -0.124474D+02  0.875498D+01  0.137721D+01
      2   0.402392D+01  0.520746D+01  0.785671D+01 -0.280207D+01 -0.363143D+00
      3   0.416757D+01 -0.263029D+01  0.459073D+01 -0.595291D+01 -0.101407D+01
      4  -0.474161D+01 -0.121279D+01  0.707341D+01  0.263619D+01 -0.966617D+00
      5  -0.217228D+01 -0.455423D+01 -0.603309D+00 -0.513152D-01 -0.555515D+01
      6  -0.307318D+01 -0.201538D+00 -0.106348D+01 -0.108762D+01 -0.129122D+01
                16            17            18            19            20 
      1  -0.154505D+02 -0.223324D+01  0.974712D+01 -0.106002D+02  0.930149D+01
      2   0.747974D+01 -0.426948D+00  0.903472D+01  0.783927D+01 -0.155229D+02
      3   0.797077D+01  0.266019D+01 -0.187818D+02  0.276095D+01  0.622141D+01
      4  -0.105349D+01 -0.118029D+01 -0.262942D+01  0.113128D+01 -0.412652D+01
      5  -0.228796D+01 -0.325202D+01  0.361762D+02  0.195646D+01  0.164495D+01
      6  -0.539565D+00 -0.843846D+00  0.139238D+02  0.988979D+00  0.189127D+01
                21            22            23            24            25 
      1  -0.967044D+00  0.619423D+01  0.621671D+01 -0.465365D+01 -0.114646D+01
      2  -0.136637D+01 -0.127184D+02 -0.149322D+02  0.764256D+00  0.469109D+01
      3   0.233341D+01  0.652414D+01  0.871549D+01  0.388939D+01 -0.354463D+01
      4   0.123494D+01 -0.837541D+01 -0.139076D+02 -0.424803D+00  0.407596D+01
      5  -0.270826D+01  0.245866D+01  0.164312D+01 -0.141191D+01  0.645103D+00
      6  -0.296068D+01 -0.458699D+00  0.627013D+01 -0.608340D+01 -0.164907D+01
                26            27            28            29            30 
      1  -0.377273D+01  0.998424D+01 -0.119650D+02 -0.174416D+01 -0.530726D+01
      2   0.104174D+02  0.115180D+02  0.464563D+01  0.563429D+00  0.221369D+01
      3  -0.664469D+01 -0.215023D+02  0.731937D+01  0.118073D+01  0.309357D+01
      4   0.400939D+01 -0.881552D+00 -0.924202D+01 -0.102753D+01 -0.273908D+01
      5  -0.443900D+00 -0.665676D+01 -0.618101D+01 -0.159264D+01 -0.722620D+01
      6   0.774727D+00 -0.291264D+02 -0.304123D+01  0.604441D-01 -0.400780D+01
                31            32            33            34            35 
      1  -0.604150D+00  0.203704D+02 -0.136645D+00 -0.444043D+01 -0.321839D+00
      2   0.171971D+01 -0.204938D+02 -0.362035D+01 -0.174645D+01 -0.266047D+01
      3  -0.111556D+01  0.123383D+00  0.375699D+01  0.618688D+01  0.298231D+01
      4  -0.631864D+01  0.813894D+00 -0.286972D+01  0.156324D+01 -0.148280D+01
      5   0.252801D+01 -0.214929D+01 -0.804219D+01 -0.372309D+01  0.761606D+00
      6  -0.250591D+00  0.882360D+00 -0.882487D+01 -0.196680D+01 -0.946042D+00
                36            37            38            39            40 
      1   0.102703D+02  0.220903D+02 -0.319805D+01 -0.111131D+01 -0.716578D+00
      2   0.108300D+02 -0.155234D+02  0.308033D+01 -0.132349D+01 -0.827837D-02
      3  -0.211003D+02 -0.656693D+01  0.117724D+00  0.243480D+01  0.724856D+00
      4   0.129601D+01 -0.789726D+01  0.152641D+02 -0.162380D+01  0.161227D+02
      5   0.378347D+02  0.227345D+01  0.532393D-01  0.204607D+02 -0.211975D+01
      6   0.614847D+01 -0.714062D+00  0.285892D+01  0.890637D+01  0.409841D+00
                41            42            43            44            45 
      1  -0.155771D+02  0.358038D+01  0.653212D+01  0.454314D+01 -0.776394D+01
      2   0.219266D+02  0.213174D+00 -0.646694D+01 -0.460335D+01 -0.604911D+01
      3  -0.634947D+01 -0.379355D+01 -0.651855D-01  0.602115D-01  0.138131D+02
      4  -0.777336D+00  0.175901D+01 -0.529665D+01  0.202688D+01 -0.279698D+01
      5   0.702843D+00  0.827567D+01  0.782395D+01 -0.918513D-01  0.880258D+00
      6  -0.357731D+01  0.136589D+02 -0.608999D+00  0.794712D+01  0.111759D+01
                46            47            48            49            50 
      1  -0.221823D+02  0.956204D+01  0.572822D+01 -0.289219D+01  0.942548D+01
      2   0.208591D+02 -0.113619D+02 -0.143967D+01 -0.318145D+01 -0.245290D+02
      3   0.132322D+01  0.179982D+01 -0.428855D+01  0.607363D+01  0.151036D+02
      4   0.501359D+01 -0.961875D+01  0.549580D+00 -0.139388D+02 -0.134439D+02
      5   0.200602D+00 -0.142537D+00 -0.159660D+02  0.156185D+01  0.323590D+00
      6  -0.135165D+00 -0.306442D+01 -0.720283D+01  0.318034D+00  0.127829D+01
                51            52            53            54            55 
      1  -0.786892D+00  0.259038D+01 -0.108618D+01  0.135824D+02 -0.231063D+02
      2   0.198527D+00  0.863549D+00  0.106043D+02  0.114082D+02  0.167570D+02
      3   0.588364D+00 -0.345393D+01 -0.951813D+01 -0.249905D+02  0.634929D+01
      4   0.827727D+00  0.440483D+01 -0.957592D-01  0.876182D+00  0.662984D+01
      5   0.102254D-01 -0.323091D+01 -0.203598D+01 -0.197687D+02 -0.103435D+02
      6  -0.505012D+01 -0.489633D+00 -0.400010D+01 -0.370680D+02  0.933842D+01
                56            57            58            59            60 
      1   0.214369D+00 -0.718179D+01 -0.523816D+01 -0.114292D+02 -0.453011D+01
      2  -0.638213D+01  0.567521D+01 -0.533028D+01  0.309841D+02  0.267014D+01
      3   0.616776D+01  0.150658D+01  0.105684D+02 -0.195549D+02  0.185997D+01
      4   0.196212D+02  0.702251D+01  0.291882D+02 -0.365577D+02 -0.587681D+01
      5   0.250553D+01  0.638404D+01  0.301019D+01 -0.586710D+01 -0.528906D+01
      6  -0.308486D+01 -0.560752D+00 -0.327808D+01  0.829371D+01  0.132702D+02
                61            62            63            64            65 
      1  -0.133466D+02 -0.266711D+01 -0.761265D+01 -0.348959D+00 -0.500044D+00
      2   0.514377D+01  0.860220D+01 -0.397325D+00 -0.254769D+01 -0.755121D+00
      3   0.820287D+01 -0.593508D+01  0.800997D+01  0.289665D+01  0.125516D+01
      4   0.172086D+02 -0.141669D+02 -0.704509D+01 -0.722110D+00  0.419090D+01
      5   0.854867D+01 -0.796533D+01 -0.583687D+01  0.292036D+01 -0.519924D+00
      6  -0.422128D+01  0.135324D+02  0.536957D+01 -0.234281D+01 -0.585666D+00
                66            67            68            69            70 
      1   0.302037D+01 -0.400380D+00 -0.304535D+01  0.243904D+01  0.398239D+01
      2  -0.166680D+01 -0.806374D+00  0.995577D+00 -0.278580D+01 -0.281054D+01
      3  -0.135358D+01  0.120675D+01  0.204977D+01  0.346752D+00 -0.117185D+01
      4  -0.239479D+01  0.391790D+01 -0.154188D+01  0.284025D+01 -0.455310D+01
      5   0.739365D+01  0.185212D+00  0.259998D+01 -0.447400D+00  0.618207D+01
      6   0.868237D+00  0.271596D+00 -0.342578D+01  0.825903D+01 -0.150470D+01
                71            72            73            74            75 
      1   0.370832D+01 -0.181154D+02  0.606340D+02 -0.265577D+01  0.675111D+01
      2  -0.314451D+01 -0.165453D+02 -0.383844D+02 -0.110688D+01 -0.700461D+01
      3  -0.563809D+00  0.346607D+02 -0.222496D+02  0.376266D+01  0.253493D+00
      4   0.506339D+01 -0.195754D+01  0.159479D+01  0.241060D+01  0.426533D+01
      5  -0.218493D+01  0.238046D+02  0.135923D+02  0.413907D+01  0.130990D+02
      6   0.678448D+01 -0.224759D+02  0.238842D+01  0.195359D+01  0.220856D+00
                76            77            78            79            80 
      1  -0.162467D+02 -0.905678D+01 -0.161462D-01  0.224690D+02  0.464340D+01
      2   0.566115D+01  0.201065D+01  0.175242D+01 -0.133386D+02  0.148225D+00
      3   0.105855D+02  0.704612D+01 -0.173627D+01 -0.913042D+01 -0.479163D+01
      4  -0.903298D+01 -0.269107D+02  0.827887D+01  0.992187D+01  0.138132D+02
      5   0.306603D+01  0.920117D+01 -0.462096D+01  0.174179D+02  0.477181D+00
      6   0.113724D+01  0.249652D+01  0.457225D+01  0.235762D+01  0.483471D+01
                81            82            83            84            85 
      1   0.374394D+01  0.335281D+01  0.148771D+01 -0.477290D+01  0.155129D+01
      2  -0.111382D+02 -0.477415D+01 -0.995822D+00  0.276470D+01 -0.987219D+00
      3   0.739426D+01  0.142134D+01 -0.491891D+00  0.200820D+01 -0.564066D+00
      4   0.456647D+00  0.141713D+01  0.978965D+00 -0.740433D+00  0.133497D+01
      5   0.767162D+01 -0.395931D+01 -0.203351D+00  0.695266D+01  0.917978D-01
      6   0.204011D+01 -0.759322D+00  0.349225D+00 -0.543197D+00 -0.781307D+00
                86            87            88            89            90 
      1  -0.511074D+01  0.182149D+01 -0.684943D+01  0.144365D+01 -0.173480D+02
      2   0.112569D+01 -0.126182D+01  0.548050D+01 -0.121983D+01 -0.174124D+02
      3   0.398505D+01 -0.559678D+00  0.136893D+01 -0.223818D+00  0.347604D+02
      4   0.230593D+00 -0.408906D+01 -0.257673D+01 -0.588846D+01  0.158026D+01
      5  -0.438901D+01  0.117856D+01  0.751847D+01  0.239862D+01 -0.330529D+02
      6  -0.208467D+01  0.937225D+01  0.651450D+00  0.620931D+01 -0.995985D+01
                91            92            93            94            95 
      1   0.203619D+01 -0.139468D+01  0.103149D+01 -0.208445D+01 -0.415042D+01
      2  -0.505992D+01  0.198728D+01 -0.370146D+00  0.242979D+01  0.180171D+01
      3   0.302374D+01 -0.592602D+00 -0.661344D+00 -0.345338D+00  0.234871D+01
      4  -0.375954D+00  0.203991D+01  0.245442D+01  0.240751D+01  0.144845D+01
      5   0.101959D+01  0.292283D+00  0.744165D+01 -0.146131D+00  0.653395D+00
      6   0.318355D+01 -0.776965D-01 -0.143891D+00  0.254274D+00  0.297964D+01
                96            97            98            99           100 
      1  -0.225263D+01  0.910106D+00 -0.511178D+01 -0.198373D+02  0.122492D+02
      2   0.389487D+01 -0.154358D+01  0.630512D+01 -0.180683D+02 -0.600177D+01
      3  -0.164225D+01  0.633477D+00 -0.119334D+01  0.379056D+02 -0.624746D+01
      4   0.980358D+00  0.405845D+01  0.174783D+01  0.522877D+00  0.211660D+02
      5  -0.290119D+00  0.553037D+01  0.293876D+00  0.651144D+01 -0.208049D+01
      6   0.738999D+01  0.119124D+01  0.658060D+01  0.268382D+02 -0.536646D+01
               101           102           103           104           105 
      1  -0.222439D+02  0.141087D+00 -0.129439D+02 -0.713859D+01  0.640530D+01
      2   0.389719D+02  0.198417D+01  0.252657D+02  0.164289D+02 -0.437726D+01
      3  -0.167280D+02 -0.212526D+01 -0.123219D+02 -0.929031D+01 -0.202803D+01
      4   0.150210D+02 -0.444502D+01  0.155444D+02  0.295866D+02 -0.604711D+00
      5  -0.565840D+00  0.885546D+01 -0.918286D+00 -0.332885D+01  0.261784D+01
      6  -0.867371D+00  0.673745D+01  0.545089D+00 -0.875240D+01  0.105924D+02
               106           107           108           109           110 
      1  -0.990853D+00  0.110331D+02 -0.793292D+01  0.217840D+01  0.321339D+01
      2  -0.372047D+00 -0.166035D+02  0.617964D+00 -0.426052D+01 -0.187386D+01
      3   0.136290D+01  0.557035D+01  0.731496D+01  0.208212D+01 -0.133953D+01
      4  -0.751859D+01 -0.475456D+01  0.536783D+01  0.894713D+01 -0.216664D+02
      5   0.644480D+01  0.330612D+01 -0.913900D+00  0.150390D+02  0.259719D+01
      6   0.630957D+01  0.137331D+02 -0.528213D+01  0.359410D+01  0.290420D+01
               111           112           113           114           115 
      1   0.674514D+01  0.168081D+02 -0.266024D+02  0.346890D+01  0.187227D+02
      2  -0.679743D+01 -0.125712D+02  0.630107D+01  0.436848D+01 -0.551903D+01
      3   0.522861D-01 -0.423691D+01  0.203014D+02 -0.783739D+01 -0.132037D+02
      4   0.418433D+01 -0.380580D+02 -0.202313D+02  0.900144D+01 -0.241523D+01
      5  -0.159261D+00 -0.970487D+00  0.101528D+02  0.251955D+01 -0.676827D+01
      6   0.645908D+01  0.946312D+00  0.135188D+01 -0.587878D+01 -0.118023D+01
               116           117           118           119           120 
      1   0.132082D+01  0.108404D+02  0.432572D+01  0.112081D+01 -0.305254D+01
      2   0.165603D+01  0.139640D+02 -0.562382D+01 -0.988652D+00  0.187000D+01
      3  -0.297685D+01 -0.248044D+02  0.129810D+01 -0.132160D+00  0.118254D+01
      4   0.125414D+02 -0.124325D+02  0.783844D+00  0.174443D+01  0.650635D+00
      5  -0.994435D+01 -0.497878D+02 -0.345100D+01  0.412333D+00  0.975242D+01
      6  -0.175096D+01 -0.399404D+01 -0.187856D+00 -0.208943D-01 -0.529791D+00
               121           122           123           124           125 
      1   0.143629D+01 -0.551730D+01 -0.107813D+01 -0.628322D+01  0.108778D+01
      2  -0.119443D+01  0.197014D+01  0.132004D+00  0.770967D+01  0.127614D+00
      3  -0.241859D+00  0.354716D+01  0.946127D+00 -0.142645D+01 -0.121539D+01
      4   0.203874D+01  0.351004D+00 -0.242799D+01 -0.628772D+00 -0.358969D+01
      5  -0.776161D+00 -0.355007D+01  0.139492D+01  0.932074D+01  0.104800D+01
      6  -0.621324D+00 -0.308802D+00  0.864754D+01  0.100026D+01  0.565663D+01
               126           127           128           129           130 
      1  -0.184158D+02  0.788746D+01 -0.179784D+01 -0.654372D+00  0.393276D+00
      2  -0.187470D+02  0.163585D+01  0.745353D+01  0.981391D+00  0.681704D+01
      3   0.371628D+02 -0.952331D+01 -0.565569D+01 -0.327019D+00 -0.721032D+01
      4   0.414607D+00  0.720951D+01  0.180278D+02 -0.188908D+00  0.209536D+02
      5  -0.286975D+02 -0.763186D+00 -0.676921D+00  0.623598D+01 -0.127393D+01
      6  -0.331151D+01 -0.104151D+01  0.586101D+00 -0.152285D+01  0.921698D+00
               131           132           133           134           135 
      1  -0.367997D+02  0.538558D+00 -0.164998D+01 -0.587651D+01  0.281542D+01
      2   0.686671D+02  0.132837D+01  0.101131D+01  0.474808D+01 -0.131172D-01
      3  -0.318674D+02 -0.186693D+01  0.638665D+00  0.112842D+01 -0.280231D+01
      4   0.249137D+02  0.112898D+01  0.109453D+01  0.320547D+01 -0.336916D+01
      5   0.661923D+00  0.448770D+00  0.349215D+01 -0.142176D+01  0.125227D+02
      6  -0.133229D+01  0.933503D+01 -0.230127D+01  0.198512D+01  0.343470D+02
               136           137           138           139           140 
      1   0.681038D+00 -0.761646D+00  0.162027D+01 -0.155008D+01 -0.589652D+01
      2  -0.368974D+01  0.808061D+00  0.570016D-01  0.184271D+01  0.439690D+01
      3   0.300870D+01 -0.464155D-01 -0.167727D+01 -0.292628D+00  0.149962D+01
      4  -0.560983D+00  0.348718D+01  0.369296D+01  0.280299D+01  0.203336D+01
      5   0.156382D+01  0.957556D+00  0.844631D+01  0.666234D-01  0.127863D+01
      6   0.442608D+01  0.982110D-01  0.637562D+00 -0.297222D-02  0.443529D+01
               141           142           143           144           145 
      1  -0.246149D+01  0.725368D+00 -0.805809D+01 -0.221880D+02  0.472212D+02
      2   0.396418D+01 -0.714476D+00  0.544902D+01 -0.134688D+02 -0.209466D+02
      3  -0.150269D+01 -0.108916D-01  0.260907D+01  0.356568D+02 -0.262746D+02
      4   0.950147D+00  0.524444D+01  0.411546D+01  0.132678D+01 -0.373494D+02
      5  -0.368272D+00  0.624479D+01  0.267602D+01  0.135104D+02  0.369745D+01
      6   0.808582D+01  0.183123D+01  0.116056D+02  0.331321D+02 -0.486782D+01
               146           147           148           149           150 
      1  -0.440515D+01  0.602664D+01  0.429939D+00  0.208068D+01  0.672295D+00
      2  -0.385402D+01 -0.237223D+01 -0.226105D+01  0.816287D+00 -0.111365D+01
      3   0.825917D+01 -0.365441D+01  0.183111D+01 -0.289696D+01  0.441351D+00
      4   0.156153D+02 -0.328915D+01  0.515242D+01 -0.205684D+01  0.106374D+01
      5  -0.147332D+00  0.779395D+01  0.401779D+00  0.112776D+01 -0.108721D+01
      6  -0.741307D-01 -0.630874D+01 -0.127245D+00 -0.459469D+00  0.304236D+00
               151           152           153           154           155 
      1   0.108871D+02 -0.491410D+00  0.419927D+01  0.203607D+02  0.125308D+02
      2  -0.549511D+01 -0.138273D+01 -0.234181D+01 -0.688393D+01 -0.243103D+01
      3  -0.539195D+01  0.187415D+01 -0.185746D+01 -0.134768D+02 -0.100997D+02
      4  -0.888851D+01  0.360239D+01 -0.403602D+01  0.179642D+02  0.200582D+02
      5   0.654032D+01 -0.144135D+01  0.219242D+01 -0.180575D+01 -0.163999D+01
      6  -0.418231D+01  0.194800D+01 -0.826051D+00 -0.399961D+00  0.552246D+00
               156           157           158           159           160 
      1  -0.257673D+01  0.252300D+02  0.136157D+02 -0.127916D+01 -0.697122D+01
      2   0.378503D+00 -0.802458D+01  0.361299D+01 -0.141187D+01  0.273207D+01
      3   0.219823D+01 -0.172054D+02 -0.172287D+02  0.269103D+01  0.423915D+01
      4  -0.215006D+01  0.282865D+02  0.361419D+02 -0.461325D+01 -0.709400D+01
      5   0.536766D+01 -0.206184D+01 -0.476704D+01  0.796693D+01  0.551130D+01
      6   0.193136D+01  0.418370D-01 -0.431442D+00  0.285763D+01  0.196813D+01
               161           162           163           164           165 
      1  -0.379803D+01  0.293992D+01 -0.600179D+01  0.178186D+02  0.305476D+00
      2  -0.366096D-01 -0.100451D+01  0.101461D+02 -0.285064D+02 -0.112305D+01
      3   0.383464D+01 -0.193541D+01 -0.414431D+01  0.106878D+02  0.817579D+00
      4  -0.914547D+01  0.490100D+01 -0.100825D+02  0.623282D+01  0.144290D+01
      5   0.480896D+01 -0.159932D+01  0.366149D+00 -0.949605D+00 -0.137556D+01
      6   0.280438D+01 -0.140091D+01  0.172621D+01 -0.638173D+00 -0.382067D+01
               166           167           168           169           170 
      1   0.896637D+01 -0.293421D+02 -0.755960D+00  0.114994D+01 -0.434000D+01
      2  -0.134596D+02  0.494788D+02  0.233940D+01 -0.181546D+01  0.646835D+01
      3   0.449324D+01 -0.201368D+02 -0.158344D+01  0.665512D+00 -0.212835D+01
      4   0.981845D+01 -0.627573D+01 -0.491978D+00  0.181104D+01 -0.122392D+01
      5  -0.776513D+00  0.108046D+01  0.525206D+00  0.946547D+00  0.155801D+00
      6  -0.793366D+00  0.109610D+01  0.740039D+01 -0.168952D+01  0.559867D+01
               171           172           173           174           175 
      1  -0.293784D+01  0.700056D+02 -0.106139D+02 -0.789383D+01 -0.113464D+02
      2   0.385281D+01 -0.367168D+02 -0.209230D+01  0.755021D+01  0.131949D+01
      3  -0.914980D+00 -0.332888D+02  0.127062D+02  0.343627D+00  0.100269D+02
      4  -0.869656D+00 -0.277893D+02  0.339449D+02  0.691115D+00  0.360455D+02
      5  -0.815493D+00 -0.112369D+02 -0.787259D-01  0.162162D+02  0.116169D+01
      6   0.382877D+00  0.106736D+01 -0.502576D+00 -0.579706D+01 -0.452917D+00
               176           177           178           179           180 
      1   0.302324D+02 -0.555818D+01 -0.191570D+02  0.519524D+00  0.633912D+01
      2  -0.172645D+02  0.113981D+01  0.104120D+02  0.247937D+01 -0.124136D+02
      3  -0.129679D+02  0.441836D+01  0.874492D+01 -0.299889D+01  0.607445D+01
      4   0.447382D+01 -0.596922D+01  0.799857D+01 -0.123210D+02 -0.556030D+01
      5  -0.777144D+01  0.635850D+00  0.210289D+02 -0.610527D+01 -0.633121D+01
      6   0.364331D+01  0.996493D+01 -0.399451D+01  0.661924D+01  0.432948D+01
               181           182           183           184           185 
      1  -0.138126D+01  0.162290D+01  0.823284D+01 -0.255123D+01  0.532237D+00
      2  -0.194959D+01 -0.501189D+00 -0.400816D+01  0.212913D+01 -0.149689D+01
      3   0.333085D+01 -0.112172D+01 -0.422469D+01  0.422101D+00  0.964652D+00
      4   0.125373D+01  0.402406D+01 -0.117822D+00  0.627316D+01  0.318847D+01
      5   0.642126D+01 -0.881771D-01  0.499835D+01  0.564019D-01  0.502245D+01
      6  -0.795527D-01 -0.803043D+00 -0.531958D+00  0.385277D+00  0.939471D+00
               186           187           188           189           190 
      1  -0.120606D+01  0.122110D+02 -0.485281D+01 -0.158675D+02  0.207319D+02
      2   0.392267D+00 -0.980610D+01  0.267649D+00 -0.206071D+02 -0.746936D+01
      3   0.813793D+00 -0.240491D+01  0.458516D+01  0.364746D+02 -0.132626D+02
      4   0.511027D+01  0.291583D+00  0.932704D+01  0.981358D+01  0.186044D+02
      5  -0.141233D+01  0.145909D+02  0.765031D+01  0.551284D+02 -0.500172D+01
      6   0.657977D+01  0.103886D+01  0.677364D+01  0.515456D+01 -0.117381D+01
               191           192           193           194           195 
      1   0.134122D+02 -0.499499D+01  0.195258D+02  0.100339D+02 -0.771752D+00
      2  -0.399804D+01  0.172129D+01 -0.635096D+01  0.717165D+01 -0.147020D+01
      3  -0.941416D+01  0.327370D+01 -0.131749D+02 -0.172055D+02  0.224195D+01
      4   0.214421D+02 -0.245666D+01  0.257683D+02  0.421195D+02 -0.646386D+01
      5  -0.186647D+01  0.615423D+01 -0.184232D+01 -0.593115D+01  0.701188D+01
      6  -0.493707D+00  0.206686D+01 -0.451924D+00 -0.204681D+01  0.428248D+01
               196           197           198           199           200 
      1  -0.103787D+02 -0.190461D+01  0.201275D+01 -0.133441D+01 -0.165766D+00
      2   0.464051D+01 -0.490906D+00 -0.267507D+01  0.107018D+01  0.125695D+01
      3   0.573815D+01  0.239551D+01  0.662326D+00  0.264233D+00 -0.109118D+01
      4  -0.456088D+01 -0.117619D+02  0.761873D+01  0.226510D+01  0.327081D+01
      5   0.751538D+01  0.778542D+01 -0.181168D+01 -0.129350D+01 -0.115742D+01
      6   0.221003D+01  0.433408D+01 -0.240513D+01 -0.275266D+01 -0.127690D+01
               201           202           203           204           205 
      1  -0.508477D+00  0.656135D+00 -0.448508D+01  0.241563D+01 -0.143028D+01
      2  -0.670135D-01  0.170951D+00  0.669896D+01 -0.459039D+01  0.294726D+00
      3   0.575491D+00 -0.827085D+00 -0.221388D+01  0.217476D+01  0.113555D+01
      4  -0.327578D+01  0.307560D+01  0.229381D+01 -0.184344D+01 -0.820250D+01
      5   0.248891D+01 -0.353248D+00 -0.147636D+01  0.177279D+01  0.416522D+01
      6   0.212562D+01 -0.920237D+00 -0.457193D+01  0.574034D+01  0.503436D+01
               206           207           208           209           210 
      1   0.128478D+02 -0.145874D+02 -0.108266D+02 -0.818463D+01  0.192154D+01
      2  -0.155008D+02  0.366930D+01  0.733586D+01  0.827073D+01 -0.103888D+01
      3   0.265304D+01  0.109181D+02  0.349079D+01 -0.861019D-01 -0.882665D+00
      4  -0.778485D+01  0.734118D+01  0.104134D+01 -0.104536D+02  0.130505D+00
      5   0.547918D+01 -0.144261D+02  0.139038D+01  0.117862D+01 -0.247091D+01
      6   0.177470D+02 -0.406170D+02 -0.723655D+00 -0.779170D+00  0.272796D+00
               211           212           213           214           215 
      1  -0.198995D+02 -0.166259D+02  0.222129D+01  0.370741D+01  0.317286D+01
      2   0.117499D+02  0.247335D+02 -0.293305D+01 -0.221204D+01 -0.331938D+01
      3   0.814959D+01 -0.810759D+01  0.711767D+00 -0.149537D+01  0.146516D+00
      4   0.410080D+01 -0.383089D+02  0.190543D+01  0.260826D-02  0.562216D+01
      5   0.209741D+01  0.314185D+01 -0.965104D+01  0.139692D+01 -0.334832D+01
      6   0.402980D-01 -0.161195D+01  0.368831D+01  0.409923D+00  0.359839D+01
               216 
      1  -0.127300D+01
      2   0.139046D+01
      3  -0.117460D+00
      4  -0.269830D+01
      5  -0.297005D+00
      6  -0.737504D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 20:09:40 2022, MaxMem=  5368709120 cpu:           24039.4 elap:            3008.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17946 -19.17662 -19.17061 -19.16844 -19.16589
 Alpha  occ. eigenvalues --  -19.15964 -10.29865 -10.24985 -10.24930 -10.24920
 Alpha  occ. eigenvalues --  -10.24896 -10.23716  -1.10042  -1.06173  -1.05212
 Alpha  occ. eigenvalues --   -1.04048  -1.03205  -1.02685  -0.80453  -0.78592
 Alpha  occ. eigenvalues --   -0.70242  -0.66415  -0.63624  -0.61028  -0.56959
 Alpha  occ. eigenvalues --   -0.56035  -0.53411  -0.51972  -0.50913  -0.50428
 Alpha  occ. eigenvalues --   -0.48261  -0.46458  -0.45901  -0.43733  -0.42788
 Alpha  occ. eigenvalues --   -0.40932  -0.39375  -0.38845  -0.37678  -0.37130
 Alpha  occ. eigenvalues --   -0.36055  -0.33998  -0.33364  -0.31104  -0.30189
 Alpha  occ. eigenvalues --   -0.29515  -0.29040  -0.27784
 Alpha virt. eigenvalues --   -0.01232  -0.00765  -0.00123   0.00069   0.01832
 Alpha virt. eigenvalues --    0.02336   0.02770   0.03025   0.03486   0.04423
 Alpha virt. eigenvalues --    0.05665   0.06231   0.06452   0.07367   0.07430
 Alpha virt. eigenvalues --    0.07836   0.08176   0.08836   0.09288   0.09641
 Alpha virt. eigenvalues --    0.09985   0.10267   0.10988   0.11368   0.11617
 Alpha virt. eigenvalues --    0.11746   0.12123   0.12336   0.12630   0.13063
 Alpha virt. eigenvalues --    0.13275   0.13443   0.13997   0.15048   0.15532
 Alpha virt. eigenvalues --    0.15987   0.16136   0.16971   0.17260   0.17550
 Alpha virt. eigenvalues --    0.18415   0.19038   0.19261   0.19739   0.20523
 Alpha virt. eigenvalues --    0.20880   0.21407   0.21992   0.22611   0.22948
 Alpha virt. eigenvalues --    0.23565   0.24023   0.24054   0.24764   0.25322
 Alpha virt. eigenvalues --    0.25498   0.25820   0.26549   0.26700   0.27021
 Alpha virt. eigenvalues --    0.27175   0.27867   0.28173   0.28443   0.28813
 Alpha virt. eigenvalues --    0.29124   0.29870   0.30019   0.30622   0.30786
 Alpha virt. eigenvalues --    0.31554   0.31819   0.32171   0.33244   0.34076
 Alpha virt. eigenvalues --    0.34445   0.34634   0.35177   0.36418   0.36944
 Alpha virt. eigenvalues --    0.37210   0.37524   0.38273   0.38533   0.38679
 Alpha virt. eigenvalues --    0.39697   0.40527   0.41124   0.41694   0.41748
 Alpha virt. eigenvalues --    0.43188   0.43414   0.44443   0.44823   0.45775
 Alpha virt. eigenvalues --    0.46330   0.47865   0.48453   0.49419   0.49948
 Alpha virt. eigenvalues --    0.50532   0.51146   0.52008   0.52811   0.53149
 Alpha virt. eigenvalues --    0.53806   0.54566   0.55125   0.55525   0.57352
 Alpha virt. eigenvalues --    0.57874   0.58634   0.59101   0.60095   0.60155
 Alpha virt. eigenvalues --    0.60695   0.61795   0.62201   0.62555   0.63410
 Alpha virt. eigenvalues --    0.64530   0.65609   0.65966   0.66608   0.66936
 Alpha virt. eigenvalues --    0.67100   0.67777   0.68973   0.69266   0.70604
 Alpha virt. eigenvalues --    0.71273   0.72109   0.72245   0.73485   0.74436
 Alpha virt. eigenvalues --    0.75212   0.76212   0.76617   0.77473   0.78197
 Alpha virt. eigenvalues --    0.78939   0.79566   0.80216   0.80932   0.81788
 Alpha virt. eigenvalues --    0.82989   0.83570   0.84661   0.85426   0.86897
 Alpha virt. eigenvalues --    0.87386   0.87571   0.89851   0.90044   0.91458
 Alpha virt. eigenvalues --    0.92022   0.92511   0.93963   0.94702   0.96064
 Alpha virt. eigenvalues --    0.97538   0.99888   1.00441   1.02289   1.03430
 Alpha virt. eigenvalues --    1.04720   1.05467   1.06140   1.06869   1.07244
 Alpha virt. eigenvalues --    1.08036   1.10040   1.10549   1.11314   1.11833
 Alpha virt. eigenvalues --    1.13310   1.14391   1.14816   1.16276   1.17758
 Alpha virt. eigenvalues --    1.18098   1.20141   1.22650   1.23005   1.24534
 Alpha virt. eigenvalues --    1.25599   1.27128   1.28303   1.28454   1.30500
 Alpha virt. eigenvalues --    1.31404   1.33734   1.35118   1.36552   1.39381
 Alpha virt. eigenvalues --    1.39604   1.40995   1.42597   1.42813   1.44744
 Alpha virt. eigenvalues --    1.46359   1.46840   1.48325   1.49725   1.51650
 Alpha virt. eigenvalues --    1.52322   1.53626   1.55431   1.57492   1.58653
 Alpha virt. eigenvalues --    1.60245   1.60920   1.62690   1.63856   1.64422
 Alpha virt. eigenvalues --    1.65561   1.67678   1.68292   1.69852   1.70488
 Alpha virt. eigenvalues --    1.73448   1.74187   1.75748   1.78188   1.79727
 Alpha virt. eigenvalues --    1.80434   1.81732   1.82360   1.83777   1.84855
 Alpha virt. eigenvalues --    1.85423   1.86709   1.88293   1.90419   1.91306
 Alpha virt. eigenvalues --    1.92111   1.92632   1.93292   1.94798   1.95830
 Alpha virt. eigenvalues --    1.96831   1.99698   1.99741   2.01938   2.02742
 Alpha virt. eigenvalues --    2.04221   2.04985   2.06471   2.08876   2.10181
 Alpha virt. eigenvalues --    2.10550   2.11865   2.12488   2.14281   2.15694
 Alpha virt. eigenvalues --    2.17334   2.18110   2.21007   2.22015   2.22584
 Alpha virt. eigenvalues --    2.24273   2.25778   2.27513   2.29264   2.31412
 Alpha virt. eigenvalues --    2.31563   2.33887   2.36334   2.38523   2.40537
 Alpha virt. eigenvalues --    2.40730   2.43814   2.44886   2.45630   2.47170
 Alpha virt. eigenvalues --    2.48868   2.52495   2.53555   2.53972   2.56972
 Alpha virt. eigenvalues --    2.58273   2.58809   2.59629   2.64663   2.65699
 Alpha virt. eigenvalues --    2.67970   2.68813   2.70762   2.73241   2.76808
 Alpha virt. eigenvalues --    2.77378   2.78991   2.82505   2.84943   2.85878
 Alpha virt. eigenvalues --    2.98842   3.01932   3.07054   3.10222   3.16579
 Alpha virt. eigenvalues --    3.19036   3.26394   3.32526   3.38810   3.40095
 Alpha virt. eigenvalues --    3.41004   3.42640   3.43342   3.43501   3.44487
 Alpha virt. eigenvalues --    3.45779   3.47051   3.47839   3.48293   3.48570
 Alpha virt. eigenvalues --    3.49390   3.51646   3.53125   3.53527   3.54960
 Alpha virt. eigenvalues --    3.56096   3.57214   3.60233   3.64462   3.66982
 Alpha virt. eigenvalues --    3.72860   3.77167   3.84633   3.86529   3.95491
 Alpha virt. eigenvalues --    3.98120   3.99443   4.02979   4.05371   4.11274
 Alpha virt. eigenvalues --    4.28052
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.057427  -1.706218  -1.447151  -0.018697  -0.060003   0.118840
     2  C   -1.706218   9.539646  -1.205030   0.344954   0.270019  -1.569036
     3  C   -1.447151  -1.205030  11.452131  -3.486790   0.359763   0.593725
     4  C   -0.018697   0.344954  -3.486790  10.803302  -0.913679  -0.906667
     5  O   -0.060003   0.270019   0.359763  -0.913679   9.269135  -0.001682
     6  C    0.118840  -1.569036   0.593725  -0.906667  -0.001682   7.081110
     7  O   -0.791166   0.281538   0.129337   0.131119  -0.002899  -0.037337
     8  H   -1.214782   0.633477  -0.322923   0.142010   0.005681  -0.289753
     9  O    0.207307  -0.802640   0.131963  -0.032305  -0.016171   0.235086
    10  H   -0.464406  -0.914786   0.129152  -0.053311  -0.034408   0.438517
    11  H    0.123522   0.020803  -1.000300   0.141187  -0.008048  -0.074874
    12  O    0.237692   0.022939  -0.847312   0.214041  -0.000082  -0.003328
    13  C   -0.394514   0.224105  -0.091389  -0.277416   0.010201  -0.250108
    14  H   -0.058552   0.140906   0.408928  -1.410597  -0.008005   0.021340
    15  O   -0.046305   0.093597  -0.006704   0.016016  -0.075651   0.048655
    16  H    0.036869  -0.249530   0.189538   0.077673  -0.030035  -0.556670
    17  H    0.200319  -0.139646   0.010644  -0.019476  -0.002153   0.019467
    18  H   -0.027620   0.229204  -0.029113   0.014240   0.003705  -0.143212
    19  H   -0.048960  -0.014388   0.133378  -0.046880   0.001501   0.004978
    20  O   -0.022915  -0.007609  -0.136751   0.368869  -0.081151  -0.000281
    21  H    0.023713   0.003278  -0.269174   0.051985  -0.089575  -0.002083
    22  H    0.068192   0.013577   0.205614  -0.169863   0.194851   0.032858
    23  H    0.048085  -0.071898   0.009436   0.015819   0.004521  -0.135097
    24  H    0.002320  -0.003941   0.028786  -0.021528   0.053873  -0.009256
               7          8          9         10         11         12
     1  C   -0.791166  -1.214782   0.207307  -0.464406   0.123522   0.237692
     2  C    0.281538   0.633477  -0.802640  -0.914786   0.020803   0.022939
     3  C    0.129337  -0.322923   0.131963   0.129152  -1.000300  -0.847312
     4  C    0.131119   0.142010  -0.032305  -0.053311   0.141187   0.214041
     5  O   -0.002899   0.005681  -0.016171  -0.034408  -0.008048  -0.000082
     6  C   -0.037337  -0.289753   0.235086   0.438517  -0.074874  -0.003328
     7  O    8.734969  -0.033463  -0.019000   0.048484  -0.013904  -0.018359
     8  H   -0.033463   2.438354  -0.045638   0.095233   0.095317   0.043798
     9  O   -0.019000  -0.045638   8.706794  -0.007934  -0.001667  -0.004937
    10  H    0.048484   0.095233  -0.007934   2.257956   0.042758   0.010538
    11  H   -0.013904   0.095317  -0.001667   0.042758   2.206785  -0.023414
    12  O   -0.018359   0.043798  -0.004937   0.010538  -0.023414   8.732126
    13  C    0.004126   0.088174  -0.004134   0.036823  -0.040830   0.047198
    14  H   -0.007071  -0.014503  -0.017125  -0.003247   0.095581  -0.008954
    15  O    0.000539  -0.000309   0.002605  -0.019607   0.003753   0.000164
    16  H   -0.000877  -0.004787   0.035966   0.094355  -0.003889  -0.010614
    17  H    0.258499  -0.113826   0.015279  -0.022910  -0.000702   0.003006
    18  H    0.004532   0.008012   0.241784  -0.088155  -0.002545   0.000331
    19  H    0.017358  -0.012735   0.000350   0.000100  -0.060804   0.274816
    20  O    0.000779  -0.003400   0.000247  -0.001047  -0.003196   0.007146
    21  H   -0.001530   0.000428  -0.001125   0.004890  -0.012342   0.021129
    22  H   -0.001308   0.013188   0.000087   0.004439  -0.011161  -0.020415
    23  H   -0.002447  -0.000504   0.006985   0.004689  -0.001805  -0.000594
    24  H    0.000470   0.000787   0.000495   0.000971   0.000243  -0.000988
              13         14         15         16         17         18
     1  C   -0.394514  -0.058552  -0.046305   0.036869   0.200319  -0.027620
     2  C    0.224105   0.140906   0.093597  -0.249530  -0.139646   0.229204
     3  C   -0.091389   0.408928  -0.006704   0.189538   0.010644  -0.029113
     4  C   -0.277416  -1.410597   0.016016   0.077673  -0.019476   0.014240
     5  O    0.010201  -0.008005  -0.075651  -0.030035  -0.002153   0.003705
     6  C   -0.250108   0.021340   0.048655  -0.556670   0.019467  -0.143212
     7  O    0.004126  -0.007071   0.000539  -0.000877   0.258499   0.004532
     8  H    0.088174  -0.014503  -0.000309  -0.004787  -0.113826   0.008012
     9  O   -0.004134  -0.017125   0.002605   0.035966   0.015279   0.241784
    10  H    0.036823  -0.003247  -0.019607   0.094355  -0.022910  -0.088155
    11  H   -0.040830   0.095581   0.003753  -0.003889  -0.000702  -0.002545
    12  O    0.047198  -0.008954   0.000164  -0.010614   0.003006   0.000331
    13  C    5.665117  -0.125664  -0.008886   0.040088  -0.005295   0.001347
    14  H   -0.125664   2.745914  -0.009671  -0.029904  -0.000567   0.002302
    15  O   -0.008886  -0.009671   8.466938  -0.191226   0.000026   0.016931
    16  H    0.040088  -0.029904  -0.191226   2.091083  -0.001361  -0.024128
    17  H   -0.005295  -0.000567   0.000026  -0.001361   0.662792  -0.002180
    18  H    0.001347   0.002302   0.016931  -0.024128  -0.002180   0.663314
    19  H   -0.013438  -0.001627  -0.000208   0.001192  -0.002086  -0.000285
    20  O   -0.108118  -0.000326  -0.001660  -0.002660  -0.000015  -0.000008
    21  H    0.174926   0.152297  -0.007935   0.005368  -0.000056   0.000170
    22  H   -0.261535  -0.184954   0.001961   0.003304  -0.000318   0.000071
    23  H   -0.000477  -0.000256   0.280552   0.039601   0.000202   0.000904
    24  H   -0.049202  -0.012142   0.003926   0.000329   0.000000  -0.000196
              19         20         21         22         23         24
     1  C   -0.048960  -0.022915   0.023713   0.068192   0.048085   0.002320
     2  C   -0.014388  -0.007609   0.003278   0.013577  -0.071898  -0.003941
     3  C    0.133378  -0.136751  -0.269174   0.205614   0.009436   0.028786
     4  C   -0.046880   0.368869   0.051985  -0.169863   0.015819  -0.021528
     5  O    0.001501  -0.081151  -0.089575   0.194851   0.004521   0.053873
     6  C    0.004978  -0.000281  -0.002083   0.032858  -0.135097  -0.009256
     7  O    0.017358   0.000779  -0.001530  -0.001308  -0.002447   0.000470
     8  H   -0.012735  -0.003400   0.000428   0.013188  -0.000504   0.000787
     9  O    0.000350   0.000247  -0.001125   0.000087   0.006985   0.000495
    10  H    0.000100  -0.001047   0.004890   0.004439   0.004689   0.000971
    11  H   -0.060804  -0.003196  -0.012342  -0.011161  -0.001805   0.000243
    12  O    0.274816   0.007146   0.021129  -0.020415  -0.000594  -0.000988
    13  C   -0.013438  -0.108118   0.174926  -0.261535  -0.000477  -0.049202
    14  H   -0.001627  -0.000326   0.152297  -0.184954  -0.000256  -0.012142
    15  O   -0.000208  -0.001660  -0.007935   0.001961   0.280552   0.003926
    16  H    0.001192  -0.002660   0.005368   0.003304   0.039601   0.000329
    17  H   -0.002086  -0.000015  -0.000056  -0.000318   0.000202   0.000000
    18  H   -0.000285  -0.000008   0.000170   0.000071   0.000904  -0.000196
    19  H    0.638667  -0.000228  -0.000901  -0.001041   0.000224  -0.000035
    20  O   -0.000228   8.537787  -0.022818  -0.239624   0.000502   0.270938
    21  H   -0.000901  -0.022818   1.930918  -0.480098   0.001404  -0.080414
    22  H   -0.001041  -0.239624  -0.480098   2.213267  -0.000659   0.037581
    23  H    0.000224   0.000502   0.001404  -0.000659   0.698707  -0.000246
    24  H   -0.000035   0.270938  -0.080414   0.037581  -0.000246   0.641312
 Mulliken charges:
               1
     1  C    1.177004
     2  C    0.866678
     3  C    1.060242
     4  C    1.035995
     5  O   -0.849706
     6  C    1.384811
     7  O   -0.682389
     8  H   -0.507836
     9  O   -0.632273
    10  H   -0.559094
    11  H   -0.470465
    12  O   -0.675927
    13  C    1.338903
    14  H   -0.674101
    15  O   -0.567500
    16  H   -0.509685
    17  H    0.140358
    18  H    0.130594
    19  H    0.131051
    20  O   -0.554461
    21  H   -0.402455
    22  H   -0.418014
    23  H    0.102354
    24  H    0.135917
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.669168
     2  C    0.307584
     3  C    0.589777
     4  C    0.361894
     5  O   -0.849706
     6  C    0.875125
     7  O   -0.542031
     9  O   -0.501679
    12  O   -0.544875
    13  C    0.518434
    15  O   -0.465146
    20  O   -0.418544
 Electronic spatial extent (au):  <R**2>=           2210.3984
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -4.0096    Y=             -0.5301    Z=              2.0673  Tot=              4.5422
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.2230   YY=            -74.1359   ZZ=            -69.7160
   XY=              2.2548   XZ=              0.7428   YZ=             -4.6335
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.1980   YY=              0.8891   ZZ=              5.3089
   XY=              2.2548   XZ=              0.7428   YZ=             -4.6335
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -77.8478  YYY=              6.9222  ZZZ=              4.0887  XYY=            -10.8110
  XXY=             -1.5009  XXZ=             16.9277  XZZ=             -3.2262  YZZ=            -10.0355
  YYZ=             11.3618  XYZ=             11.2448
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1705.2843 YYYY=          -1010.6375 ZZZZ=           -144.1020 XXXY=             48.9340
 XXXZ=             12.1837 YYYX=            -35.7706 YYYZ=            -39.2528 ZZZX=             -2.0874
 ZZZY=            -10.6514 XXYY=           -381.6395 XXZZ=           -292.3993 YYZZ=           -181.6103
 XXYZ=            -26.2871 YYXZ=             -1.6679 ZZXY=              8.8997
 N-N= 8.250891300381D+02 E-N=-3.262436642484D+03  KE= 6.833880251574D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 20:09:40 2022, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.60935094D+00-2.37664425D-01 8.21406499D-01
 Polarizability= 1.26445107D+02 3.07543568D+00 1.24177093D+02
                -3.58596025D-01-6.34449583D-01 1.08372538D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0011    0.0003        0.8730    0.8751
 2      0.0011   -0.0003        0.1510    0.1511       -2.5540   -2.5570
 3     -0.8730   -0.8751       12.5255   12.5268       -0.1495   -0.1511
 4     -0.1510   -0.1511        0.0000    0.0000       -0.8741   -0.8751
 5     -9.9715   -9.9698        0.8741    0.8751        0.0023    0.0003
 6      0.1495    0.1511       -0.0023   -0.0003        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0009   -0.0009        2.6252    2.6252
 2     -0.4532   -0.4532        0.0000    0.0000        2.6252    2.6252
 3     -0.4532   -0.4532       -0.0009   -0.0009       -0.0000    0.0000
 4     -0.0009   -0.0009        0.4532    0.4532       -7.6710   -7.6710
 5     -2.6252   -2.6252       37.5804   37.5804       -0.4532   -0.4532
 6    -29.9094  -29.9094        2.6252    2.6252        0.0009    0.0009
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0859    0.0000        0.0660   -0.0011       -3.3480   -3.5003
 2     -0.1260    0.0011       -0.6345   -0.6043       10.2160   10.2280
 3      3.3332    3.5003      -49.9819  -50.1073        0.6130    0.6043
 4      0.4751    0.6043       -0.0357    0.0000        3.6661    3.5003
 5     39.8428   39.8792       -3.2996   -3.5003        0.1534   -0.0011
 6     -0.7668   -0.6043       -0.0186    0.0011       -0.2228    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0662    0.0000        8.3732    8.4844        6.4918    6.4916
 2     -8.0541   -8.4844       -6.2031   -6.1790       -2.7358   -2.7490
 3     -6.6040   -6.4916       -6.4786   -6.7446        6.4028    6.1790
 4      6.0972    6.1790        0.0655    0.0000       -6.4218   -6.4916
 5      9.2387    9.4936        6.6856    6.4916        8.7344    8.4844
 6     -6.1133   -6.1790       -8.4397   -8.4844       -0.0889    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -21.6602  -21.5252        5.9691    5.8857      -11.1382  -11.0352
 2    -20.0365  -19.8311       17.2033   17.2124      -11.0655  -11.0352
 3    -20.1149  -19.8311        5.8400    5.8857      -14.4646  -14.3599
 4    -10.7955  -11.3268       -1.6789   -1.6941      -11.6375  -11.5788
 5     -3.6984   -3.3247      -12.2552  -12.1377        1.8264    1.6941
 6     23.1714   23.7165        3.2452    3.3247       11.6136   11.3268
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.4579   -6.9937    0.0008    0.0009    0.0010   10.1300
 Low frequencies ---   69.4507   98.0020  111.7534
 Diagonal vibrational polarizability:
      143.9198930      89.8040147     170.7555861
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     69.4286                97.9989               111.7438
 Red. masses --      6.9191                 4.4987                 6.0414
 Frc consts  --      0.0197                 0.0255                 0.0444
 IR Inten    --      0.6947                 8.8798                 0.9999
 RamAct Fr= 1--      0.0164                 0.0751                 0.0939
  Dep-P Fr= 1--      0.7471                 0.6620                 0.6824
  Dep-U Fr= 1--      0.8552                 0.7966                 0.8112
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0023                 0.0100                 0.0127
 AlphaG Fr= 1--     -0.0000                 0.0003                 0.0001
 Gamma2 Fr= 1--     -0.0429                -0.1275                 0.0172
 Delta2 Fr= 1--     -0.0057                -0.0262                -0.0041
 Raman1 Fr= 1--       0.066                  0.300                  0.376
 ROA1   Fr= 1--      -4.304                -13.076                  1.519
 CID1   Fr= 1--     -65.662                -43.553                  4.044
 Raman2 Fr= 1--       0.028                  0.120                  0.152
 ROA2   Fr= 1--      -0.984                 -2.850                  0.445
 CID2   Fr= 1--     -35.116                -23.829                  2.918
 Raman3 Fr= 1--       0.056                  0.239                  0.305
 ROA3   Fr= 1--      -4.304                -13.076                  1.519
 CID3   Fr= 1--     -76.778                -54.672                  4.984
 RC180  Fr= 1--       0.710                  0.593                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.03     0.02  -0.03  -0.05    -0.02   0.02   0.09
     2   6     0.04  -0.01   0.08    -0.00   0.01   0.05    -0.05  -0.01  -0.04
     3   6     0.01   0.03  -0.12    -0.00  -0.05   0.02     0.02  -0.00  -0.05
     4   6     0.03   0.02  -0.06     0.01  -0.06   0.05    -0.01  -0.07   0.07
     5   8     0.01   0.00  -0.12    -0.03  -0.08  -0.05    -0.06  -0.02   0.15
     6   6    -0.01   0.05  -0.11    -0.06  -0.01  -0.02    -0.02  -0.01   0.04
     7   8     0.02  -0.01   0.12     0.02   0.04  -0.19     0.05  -0.03   0.29
     8   1    -0.15  -0.01   0.03     0.08  -0.12  -0.06    -0.12   0.13   0.10
     9   8    -0.05  -0.00   0.27    -0.06   0.03   0.18     0.02   0.04  -0.23
    10   1     0.21  -0.04   0.08     0.10   0.05   0.06    -0.19  -0.07  -0.05
    11   1     0.09   0.15  -0.12    -0.06  -0.04   0.02     0.09   0.17  -0.05
    12   8    -0.03  -0.02  -0.28     0.05  -0.06   0.04     0.03  -0.10  -0.28
    13   6    -0.03   0.02   0.10    -0.03  -0.04   0.15    -0.02  -0.01   0.07
    14   1     0.12   0.03  -0.06     0.09  -0.00   0.05     0.01  -0.15   0.07
    15   8     0.02  -0.01  -0.26    -0.10  -0.01  -0.05    -0.08  -0.01  -0.00
    16   1    -0.05   0.19  -0.12    -0.10   0.02  -0.02     0.08  -0.01   0.04
    17   1    -0.02  -0.03   0.23     0.02  -0.01  -0.17     0.04   0.10   0.26
    18   1     0.06  -0.07   0.21    -0.02   0.01   0.18    -0.06   0.05  -0.27
    19   1     0.04   0.02  -0.20     0.02  -0.06  -0.04     0.13  -0.01  -0.22
    20   8     0.01  -0.06   0.31     0.17   0.24  -0.10     0.12   0.18  -0.07
    21   1    -0.17   0.11   0.10    -0.10  -0.36   0.15    -0.02  -0.16   0.07
    22   1     0.04  -0.03   0.08    -0.15   0.11   0.45    -0.14   0.09   0.20
    23   1     0.10  -0.15  -0.26    -0.03  -0.05  -0.05    -0.21  -0.01  -0.01
    24   1    -0.07  -0.02   0.29     0.40   0.09  -0.22     0.34   0.07  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    144.9643               183.1335               196.0581
 Red. masses --      5.7823                 2.2070                 1.6947
 Frc consts  --      0.0716                 0.0436                 0.0384
 IR Inten    --      2.3290                20.9323                76.4637
 RamAct Fr= 1--      0.0707                 0.2153                 0.7609
  Dep-P Fr= 1--      0.5067                 0.7342                 0.7394
  Dep-U Fr= 1--      0.6726                 0.8467                 0.8502
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0079                 0.0304                 0.1078
 AlphaG Fr= 1--     -0.0000                -0.0009                 0.0006
 Gamma2 Fr= 1--      0.0144                -0.0567                 0.0663
 Delta2 Fr= 1--      0.0314                -0.1210                 0.1021
 Raman1 Fr= 1--       0.283                  0.861                  3.044
 ROA1   Fr= 1--       2.383                 -9.317                  9.635
 CID1   Fr= 1--       8.426                -10.818                  3.166
 Raman2 Fr= 1--       0.095                  0.365                  1.294
 ROA2   Fr= 1--       0.094                 -0.394                  0.775
 CID2   Fr= 1--       0.987                 -1.080                  0.599
 Raman3 Fr= 1--       0.190                  0.729                  2.588
 ROA3   Fr= 1--       2.383                 -9.317                  9.635
 CID3   Fr= 1--      12.527                -12.776                  3.724
 RC180  Fr= 1--       0.345                  0.693                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03     0.01   0.01  -0.00    -0.02   0.00   0.01
     2   6     0.01  -0.01   0.08     0.03   0.00  -0.03    -0.02   0.00   0.01
     3   6    -0.00   0.08   0.07     0.00   0.06   0.01    -0.01   0.00  -0.00
     4   6    -0.00   0.02   0.19     0.02   0.06   0.03     0.02   0.02   0.01
     5   8    -0.03   0.08   0.30     0.01   0.02  -0.08     0.01   0.01  -0.05
     6   6     0.07   0.06   0.05     0.01  -0.01  -0.03     0.00   0.02  -0.00
     7   8    -0.06   0.02  -0.13    -0.09  -0.07   0.00     0.08   0.07   0.03
     8   1     0.09  -0.11   0.03     0.03   0.03  -0.00    -0.03   0.01   0.02
     9   8     0.02  -0.02   0.06     0.02   0.05  -0.02     0.01  -0.09  -0.01
    10   1     0.01  -0.02   0.08     0.04  -0.01  -0.03    -0.03  -0.00   0.01
    11   1    -0.02   0.22   0.07    -0.00   0.12   0.00    -0.01   0.02  -0.00
    12   8    -0.01   0.01  -0.10     0.01   0.03  -0.07    -0.08   0.02  -0.02
    13   6     0.05  -0.05   0.03    -0.01  -0.09   0.14    -0.01  -0.06   0.08
    14   1    -0.06  -0.08   0.19     0.11   0.14   0.03     0.07   0.07   0.01
    15   8     0.06  -0.03  -0.26     0.06   0.01   0.08     0.02   0.02   0.03
    16   1     0.26   0.26   0.05    -0.04  -0.08  -0.03    -0.05   0.01  -0.00
    17   1    -0.03  -0.06  -0.19    -0.15  -0.41   0.29     0.18   0.54  -0.40
    18   1     0.09  -0.09  -0.06    -0.11   0.17   0.16     0.22  -0.27  -0.26
    19   1    -0.02   0.03  -0.21     0.12   0.10   0.05    -0.22  -0.06  -0.17
    20   8    -0.12  -0.09  -0.18    -0.06  -0.04  -0.06    -0.03  -0.03  -0.03
    21   1     0.22  -0.12   0.03    -0.09  -0.36   0.14    -0.06  -0.22   0.08
    22   1     0.08  -0.07   0.01     0.07  -0.05   0.39     0.05  -0.04   0.24
    23   1    -0.10  -0.25  -0.27     0.11   0.09   0.09     0.17   0.02   0.04
    24   1    -0.18  -0.06  -0.19    -0.17  -0.05  -0.32    -0.09  -0.03  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    238.1003               278.9829               289.0419
 Red. masses --      2.6711                 2.7260                 2.5730
 Frc consts  --      0.0892                 0.1250                 0.1267
 IR Inten    --     61.5647                54.0780                49.5092
 RamAct Fr= 1--      0.4183                 0.1172                 0.6781
  Dep-P Fr= 1--      0.4720                 0.7486                 0.6363
  Dep-U Fr= 1--      0.6413                 0.8562                 0.7777
 Alpha2 Fr= 1--      0.0023                 0.0000                 0.0014
 Beta2  Fr= 1--      0.0447                 0.0167                 0.0879
 AlphaG Fr= 1--      0.0021                -0.0002                 0.0034
 Gamma2 Fr= 1--     -0.1529                 0.0755                -0.2692
 Delta2 Fr= 1--     -0.0878                 0.0723                -0.1446
 Raman1 Fr= 1--       1.673                  0.469                  2.712
 ROA1   Fr= 1--     -17.490                  9.563                -30.474
 CID1   Fr= 1--     -10.454                 20.404                -11.235
 Raman2 Fr= 1--       0.536                  0.201                  1.055
 ROA2   Fr= 1--      -2.967                  1.234                 -5.305
 CID2   Fr= 1--      -5.531                  6.149                 -5.029
 Raman3 Fr= 1--       1.073                  0.401                  2.109
 ROA3   Fr= 1--     -17.490                  9.563                -30.474
 CID3   Fr= 1--     -16.302                 23.831                -14.446
 RC180  Fr= 1--       0.283                  0.712                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.07  -0.04    -0.02   0.01   0.01     0.04  -0.02   0.13
     2   6     0.04   0.03  -0.03    -0.05  -0.02   0.01     0.03  -0.01   0.09
     3   6    -0.02   0.02  -0.01    -0.02  -0.02   0.01     0.02   0.01   0.11
     4   6    -0.04   0.00   0.01    -0.06   0.00   0.00    -0.03   0.01   0.03
     5   8     0.01  -0.02  -0.00    -0.02   0.00  -0.01     0.05  -0.07  -0.10
     6   6     0.02   0.03  -0.02    -0.01  -0.04   0.01    -0.01  -0.02   0.02
     7   8    -0.09   0.01   0.03     0.06   0.07   0.01    -0.10  -0.04  -0.04
     8   1    -0.06   0.12  -0.04    -0.03   0.00   0.01     0.12  -0.09   0.12
     9   8     0.04  -0.16   0.04    -0.04   0.01  -0.03     0.06   0.15  -0.02
    10   1     0.09   0.06  -0.03    -0.08  -0.02   0.00    -0.03  -0.09   0.09
    11   1    -0.06   0.03  -0.01    -0.03  -0.01   0.01     0.10   0.10   0.11
    12   8     0.20  -0.06  -0.00     0.13  -0.09  -0.00     0.03  -0.06  -0.05
    13   6    -0.04   0.03   0.00    -0.09   0.06   0.01    -0.02   0.06  -0.03
    14   1    -0.03   0.00   0.01    -0.06   0.02   0.00    -0.09   0.13   0.03
    15   8    -0.08   0.06   0.01     0.18  -0.10  -0.01    -0.02  -0.03   0.01
    16   1     0.03   0.00  -0.02    -0.03  -0.02   0.00    -0.12   0.00   0.01
    17   1    -0.08  -0.00   0.02     0.12   0.35  -0.24     0.02   0.04  -0.40
    18   1     0.41  -0.44  -0.29    -0.34   0.30   0.44     0.18  -0.10  -0.57
    19   1     0.50   0.15   0.29     0.27   0.02   0.05    -0.08  -0.07  -0.39
    20   8    -0.06   0.02  -0.01    -0.11   0.06   0.01    -0.04   0.03   0.02
    21   1    -0.02   0.04   0.00    -0.10   0.06   0.02     0.03   0.15  -0.03
    22   1    -0.05   0.03  -0.01    -0.11   0.07   0.01    -0.05   0.04  -0.13
    23   1     0.08   0.05   0.02     0.26  -0.14  -0.01     0.09  -0.06   0.02
    24   1    -0.09   0.03  -0.04    -0.22   0.08  -0.15    -0.09   0.05   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    309.1825               315.5673               325.4917
 Red. masses --      1.6427                 2.0774                 2.2193
 Frc consts  --      0.0925                 0.1219                 0.1385
 IR Inten    --    162.3260               101.9413               121.4698
 RamAct Fr= 1--      1.1165                 0.9576                 1.2729
  Dep-P Fr= 1--      0.3089                 0.2591                 0.3145
  Dep-U Fr= 1--      0.4719                 0.4116                 0.4785
 Alpha2 Fr= 1--      0.0111                 0.0111                 0.0125
 Beta2  Fr= 1--      0.0878                 0.0657                 0.1015
 AlphaG Fr= 1--     -0.0118                -0.0015                 0.0020
 Gamma2 Fr= 1--      0.8877                 0.1138                -0.0541
 Delta2 Fr= 1--      0.3668                 0.0877                -0.2090
 Raman1 Fr= 1--       4.466                  3.830                  5.092
 ROA1   Fr= 1--      96.957                 13.737                -11.881
 CID1   Fr= 1--      21.710                  3.586                 -2.333
 Raman2 Fr= 1--       1.054                  0.788                  1.218
 ROA2   Fr= 1--      18.371                  2.030                  0.374
 CID2   Fr= 1--      17.432                  2.576                  0.307
 Raman3 Fr= 1--       2.108                  1.577                  2.436
 ROA3   Fr= 1--      96.957                 13.737                -11.881
 CID3   Fr= 1--      46.002                  8.713                 -4.877
 RC180  Fr= 1--      -0.056                 -0.177                 -0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03     0.00  -0.01   0.05    -0.04   0.03   0.08
     2   6    -0.08   0.00   0.05    -0.01   0.01   0.08    -0.03   0.02   0.06
     3   6     0.00  -0.00  -0.00    -0.01  -0.03   0.03    -0.00   0.01   0.06
     4   6     0.00  -0.00  -0.02    -0.01  -0.00   0.01     0.02   0.01   0.02
     5   8    -0.05   0.04  -0.01     0.04  -0.04  -0.04     0.04  -0.02  -0.07
     6   6    -0.04   0.03   0.03    -0.00   0.03   0.04    -0.02   0.06   0.03
     7   8    -0.02   0.04  -0.04     0.10   0.13  -0.07    -0.12   0.04  -0.02
     8   1    -0.02  -0.06   0.03     0.02  -0.10   0.04     0.00  -0.00   0.08
     9   8    -0.07   0.04  -0.02     0.06  -0.07  -0.07     0.04  -0.11  -0.08
    10   1    -0.13  -0.02   0.05    -0.10  -0.01   0.07    -0.13   0.01   0.06
    11   1     0.04  -0.01  -0.00     0.01  -0.02   0.03     0.05   0.06   0.06
    12   8    -0.01  -0.01  -0.02    -0.04  -0.04  -0.01     0.00  -0.03  -0.04
    13   6     0.02  -0.05  -0.01    -0.03   0.04   0.00     0.07  -0.03  -0.02
    14   1     0.00  -0.00  -0.02    -0.02   0.03   0.01     0.00   0.09   0.02
    15   8     0.10  -0.02   0.00    -0.04   0.02  -0.02    -0.04   0.06  -0.02
    16   1    -0.09   0.06   0.02    -0.07   0.09   0.04    -0.10   0.13   0.02
    17   1    -0.06  -0.11   0.15    -0.12  -0.42   0.74    -0.03   0.13  -0.29
    18   1     0.13  -0.20  -0.45     0.03  -0.03   0.00    -0.29   0.28   0.64
    19   1     0.25   0.10   0.45    -0.10  -0.06  -0.11     0.09   0.03   0.05
    20   8     0.07  -0.03  -0.01    -0.05   0.02   0.01     0.08  -0.05  -0.01
    21   1     0.01  -0.07  -0.01    -0.03   0.05   0.01     0.10  -0.01  -0.02
    22   1     0.03  -0.05   0.01    -0.04   0.04  -0.01     0.07  -0.05  -0.05
    23   1     0.42  -0.11   0.02     0.16  -0.09  -0.02     0.10  -0.00  -0.02
    24   1     0.26  -0.07   0.26    -0.19   0.05  -0.18     0.23  -0.06   0.27
                     13                     14                     15
                      A                      A                      A
 Frequencies --    340.8426               372.0828               389.5520
 Red. masses --      1.2501                 1.6604                 1.5655
 Frc consts  --      0.0856                 0.1354                 0.1400
 IR Inten    --     41.7708               212.2319                92.6949
 RamAct Fr= 1--      0.7630                 2.6016                 1.3003
  Dep-P Fr= 1--      0.7374                 0.4760                 0.4118
  Dep-U Fr= 1--      0.8489                 0.6450                 0.5834
 Alpha2 Fr= 1--      0.0002                 0.0143                 0.0092
 Beta2  Fr= 1--      0.1080                 0.2797                 0.1264
 AlphaG Fr= 1--     -0.0007                -0.0088                 0.0169
 Gamma2 Fr= 1--     -0.2917                -0.2679                -0.0562
 Delta2 Fr= 1--     -0.1522                -0.0450                -0.1201
 Raman1 Fr= 1--       3.052                 10.406                  5.201
 ROA1   Fr= 1--     -32.877                -27.160                 -9.236
 CID1   Fr= 1--     -10.772                 -2.610                 -1.776
 Raman2 Fr= 1--       1.295                  3.356                  1.517
 ROA2   Fr= 1--      -5.784                 -6.071                 -0.388
 CID2   Fr= 1--      -4.465                 -1.809                 -0.256
 Raman3 Fr= 1--       2.591                  6.712                  3.035
 ROA3   Fr= 1--     -32.877                -27.160                 -9.236
 CID3   Fr= 1--     -12.690                 -4.046                 -3.044
 RC180  Fr= 1--       0.698                  0.290                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.02     0.04   0.00  -0.01     0.03   0.01  -0.02
     2   6     0.00  -0.02   0.03     0.06  -0.01  -0.02     0.06   0.02   0.01
     3   6     0.01  -0.01   0.00    -0.01   0.02   0.02     0.01   0.02  -0.04
     4   6     0.02   0.01  -0.00    -0.03   0.01   0.04    -0.02  -0.04  -0.03
     5   8     0.03  -0.01  -0.01     0.01  -0.03  -0.02    -0.03  -0.03   0.05
     6   6    -0.00  -0.01   0.02     0.03  -0.04  -0.03    -0.01  -0.02   0.02
     7   8     0.03  -0.01  -0.02     0.06   0.01  -0.01    -0.01  -0.04   0.01
     8   1     0.04  -0.07   0.02     0.06   0.01  -0.01     0.01   0.02  -0.02
     9   8     0.02   0.01  -0.01     0.06   0.01   0.01     0.08   0.02  -0.01
    10   1    -0.02  -0.03   0.03     0.09  -0.02  -0.02     0.05   0.05   0.01
    11   1     0.05   0.01   0.00    -0.02   0.06   0.02     0.03  -0.00  -0.04
    12   8    -0.07   0.00  -0.05    -0.05   0.02  -0.03    -0.03   0.07   0.00
    13   6     0.01   0.03   0.00    -0.05   0.00   0.03    -0.04  -0.02  -0.02
    14   1     0.02   0.01  -0.01    -0.00   0.04   0.04    -0.04  -0.11  -0.03
    15   8    -0.04  -0.01  -0.01    -0.02  -0.02   0.01    -0.08  -0.02  -0.02
    16   1    -0.00   0.00   0.02     0.03  -0.07  -0.03    -0.02  -0.00   0.02
    17   1     0.07   0.11  -0.17     0.05   0.04   0.01     0.04   0.05  -0.15
    18   1    -0.03   0.03  -0.02     0.02   0.04   0.06     0.02   0.10   0.14
    19   1     0.29   0.13   0.72     0.07   0.06   0.25    -0.01   0.05   0.18
    20   8    -0.00   0.01   0.02    -0.12   0.02  -0.06     0.01   0.01   0.02
    21   1     0.00   0.04   0.00    -0.01  -0.03   0.03    -0.08  -0.01  -0.02
    22   1     0.01   0.02  -0.01    -0.05   0.01   0.05    -0.07  -0.00  -0.00
    23   1    -0.37   0.03  -0.02    -0.03   0.01   0.01     0.85  -0.26   0.02
    24   1    -0.22   0.05  -0.32     0.38  -0.04   0.83    -0.07   0.01  -0.18
                     16                     17                     18
                      A                      A                      A
 Frequencies --    395.2623               421.7539               444.9880
 Red. masses --      2.9521                 5.5556                 5.1722
 Frc consts  --      0.2717                 0.5822                 0.6034
 IR Inten    --     51.3993                 6.2933                 4.3314
 RamAct Fr= 1--      1.4457                 4.6256                10.1409
  Dep-P Fr= 1--      0.5938                 0.5227                 0.1365
  Dep-U Fr= 1--      0.7452                 0.6865                 0.2402
 Alpha2 Fr= 1--      0.0042                 0.0205                 0.1622
 Beta2  Fr= 1--      0.1795                 0.5293                 0.4060
 AlphaG Fr= 1--     -0.0042                 0.0056                 0.0256
 Gamma2 Fr= 1--     -0.2710                 0.3689                 0.0102
 Delta2 Fr= 1--     -0.5154                 0.0488                 0.3930
 Raman1 Fr= 1--       5.783                 18.502                 40.563
 ROA1   Fr= 1--     -42.507                 36.982                 13.553
 CID1   Fr= 1--      -7.351                  1.999                  0.334
 Raman2 Fr= 1--       2.155                  6.351                  4.872
 ROA2   Fr= 1--      -2.381                  8.464                 -2.900
 CID2   Fr= 1--      -1.105                  1.333                 -0.595
 Raman3 Fr= 1--       4.309                 12.703                  9.744
 ROA3   Fr= 1--     -42.507                 36.982                 13.553
 CID3   Fr= 1--      -9.864                  2.911                  1.391
 RC180  Fr= 1--       0.490                  0.373                 -0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.05    -0.14   0.09  -0.07    -0.05   0.17   0.01
     2   6    -0.02   0.01  -0.13     0.08   0.12   0.02     0.05  -0.00  -0.13
     3   6    -0.05  -0.07   0.08    -0.14  -0.15  -0.12    -0.05   0.13   0.09
     4   6     0.05   0.01   0.15    -0.02  -0.14  -0.07    -0.07  -0.03   0.12
     5   8     0.03  -0.03   0.01     0.16  -0.12   0.06     0.01  -0.15  -0.01
     6   6     0.03   0.03  -0.11     0.15   0.07   0.06     0.03  -0.19  -0.08
     7   8     0.04  -0.02   0.01    -0.14   0.10   0.04    -0.07   0.24   0.00
     8   1     0.08   0.08  -0.04    -0.28   0.11  -0.06     0.02   0.29   0.02
     9   8    -0.11   0.05   0.04     0.11   0.16   0.02    -0.02  -0.00   0.04
    10   1     0.07  -0.03  -0.12     0.09   0.19   0.03     0.16  -0.06  -0.13
    11   1    -0.14   0.02   0.08    -0.17  -0.28  -0.11    -0.08   0.26   0.09
    12   8    -0.08  -0.14  -0.04    -0.12  -0.14   0.04    -0.04   0.11  -0.04
    13   6     0.12   0.08   0.02    -0.07  -0.07   0.01     0.04  -0.04  -0.05
    14   1     0.08   0.07   0.15     0.01  -0.25  -0.07    -0.16   0.04   0.12
    15   8    -0.03   0.10   0.03     0.13   0.09  -0.02     0.02  -0.20   0.03
    16   1     0.10  -0.05  -0.10     0.19   0.14   0.06     0.10  -0.33  -0.08
    17   1     0.03   0.04   0.03    -0.13   0.13  -0.01    -0.13   0.09   0.22
    18   1    -0.05   0.03   0.05     0.07   0.14  -0.10     0.07  -0.06   0.00
    19   1     0.03  -0.07   0.12    -0.08  -0.14   0.17     0.02   0.15   0.03
    20   8    -0.01  -0.01  -0.02    -0.00  -0.02  -0.01     0.13  -0.05   0.03
    21   1     0.34   0.24   0.02    -0.18  -0.18   0.01     0.18   0.10  -0.05
    22   1     0.06   0.03  -0.21    -0.05  -0.04   0.15    -0.04  -0.06  -0.22
    23   1     0.65   0.11   0.06    -0.18   0.09  -0.04    -0.14  -0.09   0.03
    24   1    -0.15   0.05  -0.07     0.06  -0.05  -0.01    -0.00  -0.05  -0.28
                     19                     20                     21
                      A                      A                      A
 Frequencies --    489.4529               572.0521               600.4180
 Red. masses --      3.8456                 3.5159                 5.1029
 Frc consts  --      0.5428                 0.6779                 1.0839
 IR Inten    --      5.4885                48.7956                 8.3154
 RamAct Fr= 1--      7.7531                 3.1182                 0.1461
  Dep-P Fr= 1--      0.0960                 0.1439                 0.7341
  Dep-U Fr= 1--      0.1751                 0.2516                 0.8467
 Alpha2 Fr= 1--      0.1371                 0.0490                 0.0000
 Beta2  Fr= 1--      0.2263                 0.1307                 0.0206
 AlphaG Fr= 1--     -0.0337                 0.0010                -0.0000
 Gamma2 Fr= 1--     -0.3704                -0.2396                 0.0432
 Delta2 Fr= 1--      0.0002                -0.0744                 0.0655
 Raman1 Fr= 1--      31.012                 12.473                  0.584
 ROA1   Fr= 1--     -35.556                -25.381                  6.244
 CID1   Fr= 1--      -1.147                 -2.035                 10.686
 Raman2 Fr= 1--       2.715                  1.569                  0.247
 ROA2   Fr= 1--      -8.892                 -5.155                  0.513
 CID2   Fr= 1--      -3.275                 -3.286                  2.073
 Raman3 Fr= 1--       5.430                  3.138                  0.495
 ROA3   Fr= 1--     -35.556                -25.381                  6.244
 CID3   Fr= 1--      -6.548                 -8.089                 12.622
 RC180  Fr= 1--      -0.650                 -0.497                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.12    -0.04  -0.03   0.17    -0.13  -0.07  -0.03
     2   6    -0.07   0.02   0.08    -0.02  -0.14  -0.04     0.10  -0.12   0.05
     3   6    -0.05   0.02  -0.15     0.08  -0.03  -0.04    -0.20  -0.00  -0.02
     4   6     0.12   0.05   0.05     0.08   0.02  -0.15    -0.04   0.20  -0.02
     5   8     0.13  -0.08  -0.05     0.11   0.04   0.09    -0.09   0.23  -0.01
     6   6    -0.03  -0.05   0.15     0.14  -0.07  -0.08     0.01  -0.07  -0.05
     7   8    -0.01  -0.01   0.04    -0.08   0.12  -0.03     0.04   0.06  -0.00
     8   1    -0.29  -0.06  -0.11    -0.06  -0.08   0.17    -0.32  -0.19  -0.03
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.00     0.20   0.07   0.01
    10   1    -0.18   0.19   0.08    -0.01  -0.46  -0.06     0.20  -0.23   0.05
    11   1    -0.21   0.01  -0.15     0.31  -0.13  -0.04    -0.37  -0.04  -0.01
    12   8     0.07   0.09   0.03     0.04   0.02   0.01     0.01  -0.16   0.03
    13   6     0.16   0.09   0.10     0.01   0.02   0.02     0.08   0.00  -0.01
    14   1     0.31   0.02   0.06     0.10  -0.11  -0.14    -0.06   0.28  -0.02
    15   8    -0.08  -0.13  -0.03    -0.12   0.01   0.02    -0.11  -0.08   0.01
    16   1    -0.13   0.02   0.15     0.33  -0.16  -0.07     0.01  -0.16  -0.04
    17   1    -0.04   0.11   0.06    -0.06   0.01  -0.05    -0.02   0.22   0.11
    18   1    -0.08   0.01  -0.14    -0.18   0.03  -0.04    -0.03   0.15  -0.05
    19   1     0.01   0.06  -0.06    -0.01  -0.02   0.00     0.17   0.02  -0.11
    20   8    -0.06  -0.01  -0.05    -0.06   0.02  -0.01     0.09  -0.05  -0.00
    21   1     0.29   0.11   0.10    -0.21  -0.15   0.01     0.03  -0.10  -0.01
    22   1     0.19   0.05   0.01     0.12   0.04   0.24     0.22  -0.03   0.10
    23   1     0.05  -0.37  -0.03     0.23   0.05   0.03     0.05  -0.08   0.02
    24   1    -0.08   0.06   0.19    -0.04   0.04   0.11     0.06  -0.04  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    631.9681               638.5174               887.4699
 Red. masses --      3.0851                 4.0064                 2.0893
 Frc consts  --      0.7259                 0.9624                 0.9695
 IR Inten    --     26.3721                15.9304                76.0163
 RamAct Fr= 1--      0.4001                 0.2908                 3.5573
  Dep-P Fr= 1--      0.4844                 0.6679                 0.4303
  Dep-U Fr= 1--      0.6527                 0.8009                 0.6017
 Alpha2 Fr= 1--      0.0021                 0.0004                 0.0236
 Beta2  Fr= 1--      0.0435                 0.0388                 0.3567
 AlphaG Fr= 1--     -0.0032                 0.0000                -0.0460
 Gamma2 Fr= 1--     -0.0151                 0.1793                -0.5060
 Delta2 Fr= 1--      0.0924                 0.0143                -0.2230
 Raman1 Fr= 1--       1.601                  1.163                 14.229
 ROA1   Fr= 1--       1.502                 17.673                -55.709
 CID1   Fr= 1--       0.938                 15.196                 -3.915
 Raman2 Fr= 1--       0.522                  0.466                  4.281
 ROA2   Fr= 1--      -1.102                  4.190                -10.359
 CID2   Fr= 1--      -2.110                  8.997                 -2.420
 Raman3 Fr= 1--       1.045                  0.931                  8.561
 ROA3   Fr= 1--       1.502                 17.673                -55.709
 CID3   Fr= 1--       1.438                 18.974                 -6.507
 RC180  Fr= 1--       0.305                  0.602                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.10   0.05    -0.04  -0.08  -0.05     0.01  -0.01  -0.01
     2   6     0.01  -0.12   0.09    -0.04  -0.05   0.01     0.01  -0.02  -0.01
     3   6    -0.05   0.04  -0.12    -0.12   0.12   0.08     0.05  -0.02  -0.04
     4   6    -0.02  -0.10   0.11    -0.14   0.08   0.03     0.02  -0.04   0.08
     5   8    -0.07  -0.10  -0.00     0.19  -0.06   0.00     0.03   0.14  -0.08
     6   6    -0.01   0.02  -0.13     0.14   0.02   0.08     0.10   0.01   0.06
     7   8     0.02   0.01  -0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1    -0.32  -0.31   0.04    -0.03  -0.15  -0.06    -0.04   0.00  -0.00
     9   8     0.06   0.02  -0.01    -0.12   0.03  -0.01    -0.02   0.01  -0.00
    10   1     0.04  -0.37   0.08    -0.12  -0.03   0.00    -0.01  -0.01  -0.01
    11   1    -0.12   0.10  -0.12    -0.28   0.26   0.07     0.03  -0.02  -0.03
    12   8     0.07   0.13   0.02     0.05   0.06  -0.01    -0.00  -0.01   0.01
    13   6     0.00  -0.00   0.03    -0.12  -0.09  -0.10    -0.12  -0.12   0.04
    14   1     0.11  -0.18   0.10    -0.42   0.20   0.02     0.28   0.07   0.07
    15   8     0.06   0.13   0.02    -0.04   0.08  -0.02    -0.04  -0.02  -0.00
    16   1    -0.03   0.07  -0.13     0.20   0.08   0.08     0.11  -0.04   0.06
    17   1    -0.01   0.11   0.04     0.07   0.10   0.07    -0.01  -0.02  -0.01
    18   1    -0.13   0.08  -0.09    -0.15   0.02  -0.06    -0.03   0.01  -0.01
    19   1     0.02   0.09   0.02     0.17   0.19  -0.08    -0.06  -0.07   0.05
    20   8    -0.00   0.00  -0.01     0.08  -0.04   0.03    -0.01   0.03   0.00
    21   1     0.23   0.18   0.03    -0.27  -0.21  -0.10     0.26   0.35   0.06
    22   1    -0.14  -0.02  -0.22    -0.05  -0.07   0.08    -0.40  -0.17  -0.51
    23   1     0.01   0.38   0.02     0.10  -0.04  -0.02    -0.02  -0.18  -0.00
    24   1    -0.00  -0.01  -0.07     0.15  -0.10  -0.06     0.23  -0.15  -0.20
                     25                     26                     27
                      A                      A                      A
 Frequencies --    992.4906              1014.6223              1015.5309
 Red. masses --      4.1879                 4.0706                 4.3841
 Frc consts  --      2.4305                 2.4690                 2.6639
 IR Inten    --    132.5118                47.9737                33.5996
 RamAct Fr= 1--      0.7974                 0.8258                 2.8035
  Dep-P Fr= 1--      0.3717                 0.7500                 0.6529
  Dep-U Fr= 1--      0.5420                 0.8571                 0.7900
 Alpha2 Fr= 1--      0.0065                 0.0000                 0.0049
 Beta2  Fr= 1--      0.0720                 0.1180                 0.3691
 AlphaG Fr= 1--      0.0142                 0.0002                 0.0026
 Gamma2 Fr= 1--     -0.3468                -0.0841                 1.1446
 Delta2 Fr= 1--     -0.3657                -0.1036                 0.6443
 Raman1 Fr= 1--       3.190                  3.303                 11.214
 ROA1   Fr= 1--     -44.993                -11.392                130.501
 CID1   Fr= 1--     -14.107                 -3.449                 11.637
 Raman2 Fr= 1--       0.864                  1.416                  4.430
 ROA2   Fr= 1--      -5.398                 -1.190                 22.317
 CID2   Fr= 1--      -6.245                 -0.841                  5.038
 Raman3 Fr= 1--       1.729                  2.831                  8.859
 ROA3   Fr= 1--     -44.993                -11.392                130.501
 CID3   Fr= 1--     -26.027                 -4.024                 14.731
 RC180  Fr= 1--       0.084                  0.714                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.24    -0.19  -0.04   0.03     0.18   0.07  -0.11
     2   6     0.05   0.17   0.04    -0.12   0.22   0.05     0.05   0.00   0.23
     3   6    -0.17   0.08  -0.15     0.05  -0.03   0.10     0.08   0.09  -0.12
     4   6    -0.09  -0.00  -0.05     0.12   0.03  -0.00     0.03   0.08   0.10
     5   8    -0.02  -0.01  -0.01     0.05   0.01   0.06     0.13   0.02   0.08
     6   6     0.09   0.02  -0.06     0.03   0.04  -0.20    -0.11  -0.08  -0.19
     7   8     0.10  -0.10  -0.06     0.04  -0.09  -0.05    -0.05   0.06   0.06
     8   1     0.02  -0.02   0.21    -0.21  -0.24   0.01    -0.11  -0.04  -0.10
     9   8    -0.09  -0.02  -0.05     0.06   0.01  -0.00    -0.08  -0.04  -0.06
    10   1    -0.09  -0.06   0.02    -0.10   0.25   0.05     0.03  -0.02   0.22
    11   1    -0.01  -0.07  -0.14     0.12   0.03   0.09    -0.24   0.09  -0.11
    12   8    -0.03  -0.06   0.05     0.02   0.03  -0.02    -0.05  -0.11   0.05
    13   6    -0.01   0.07   0.12    -0.01  -0.12  -0.07    -0.08  -0.04  -0.08
    14   1     0.18  -0.20  -0.05     0.08   0.07   0.00    -0.00   0.11   0.10
    15   8    -0.01  -0.07   0.02    -0.03  -0.16   0.04    -0.01  -0.04   0.01
    16   1     0.14  -0.05  -0.06     0.11   0.02  -0.19    -0.15   0.11  -0.18
    17   1     0.19  -0.32  -0.23    -0.09   0.28   0.21     0.08  -0.28  -0.20
    18   1     0.31  -0.10   0.21     0.30  -0.02   0.18    -0.18  -0.02  -0.12
    19   1     0.19   0.20  -0.15    -0.01   0.00  -0.00    -0.06  -0.13   0.06
    20   8     0.05  -0.07  -0.05    -0.07   0.08   0.04     0.00   0.00   0.01
    21   1     0.19   0.19   0.12    -0.06   0.01  -0.06    -0.13  -0.08  -0.08
    22   1    -0.02  -0.01  -0.11    -0.01  -0.13  -0.12    -0.05  -0.03  -0.00
    23   1    -0.02   0.07   0.02     0.04   0.39   0.06     0.09   0.48   0.02
    24   1     0.03  -0.05  -0.03     0.14  -0.05  -0.08     0.07  -0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1041.4286              1056.2301              1074.3271
 Red. masses --      4.7504                 3.0193                 3.4298
 Frc consts  --      3.0356                 1.9846                 2.3324
 IR Inten    --    328.2398               180.3488               248.6221
 RamAct Fr= 1--      2.9438                 2.5245                11.8829
  Dep-P Fr= 1--      0.6659                 0.1665                 0.3312
  Dep-U Fr= 1--      0.7994                 0.2855                 0.4977
 Alpha2 Fr= 1--      0.0044                 0.0374                 0.1108
 Beta2  Fr= 1--      0.3922                 0.1201                 0.9856
 AlphaG Fr= 1--      0.0186                -0.0075                -0.0376
 Gamma2 Fr= 1--     -0.9458                 1.5516                -1.6180
 Delta2 Fr= 1--     -0.5381                 1.6979                -0.8803
 Raman1 Fr= 1--      11.775                 10.098                 47.532
 ROA1   Fr= 1--    -108.012                203.283               -183.495
 CID1   Fr= 1--      -9.173                 20.131                 -3.860
 Raman2 Fr= 1--       4.707                  1.442                 11.827
 ROA2   Fr= 1--     -18.394                 23.655                -31.789
 CID2   Fr= 1--      -3.908                 16.408                 -2.688
 Raman3 Fr= 1--       9.414                  2.883                 23.654
 ROA3   Fr= 1--    -108.012                203.283               -183.495
 CID3   Fr= 1--     -11.474                 70.504                 -7.757
 RC180  Fr= 1--       0.599                 -0.429                 -0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.02     0.01  -0.06  -0.01    -0.02   0.05  -0.16
     2   6    -0.10   0.07  -0.02     0.07   0.08   0.06     0.02  -0.05   0.16
     3   6     0.06  -0.16  -0.01     0.11  -0.05  -0.08     0.02   0.07   0.16
     4   6    -0.11  -0.07   0.13    -0.09   0.03   0.12     0.09  -0.07  -0.11
     5   8     0.13   0.13  -0.01    -0.14  -0.02  -0.08    -0.11  -0.02  -0.02
     6   6    -0.08  -0.04  -0.07     0.22   0.04   0.02     0.18   0.05  -0.03
     7   8    -0.01  -0.00  -0.01    -0.03   0.02   0.02    -0.01  -0.02   0.01
     8   1    -0.02  -0.04   0.02    -0.25  -0.23  -0.01     0.17   0.06  -0.16
     9   8     0.07   0.01   0.02    -0.08   0.00  -0.04    -0.04  -0.01  -0.02
    10   1    -0.09   0.11  -0.02     0.00   0.09   0.05     0.07   0.13   0.16
    11   1     0.14  -0.08  -0.02     0.01   0.07  -0.08     0.05  -0.00   0.16
    12   8     0.06   0.09  -0.04     0.02   0.00  -0.00    -0.03  -0.01  -0.01
    13   6    -0.17   0.23   0.06     0.08   0.02  -0.07    -0.07   0.11   0.07
    14   1    -0.07   0.08   0.12    -0.39   0.09   0.11     0.23  -0.15  -0.10
    15   8    -0.01  -0.03   0.00    -0.02  -0.04   0.02    -0.03  -0.06   0.02
    16   1     0.03  -0.08  -0.06     0.20  -0.00   0.01     0.14   0.20  -0.04
    17   1    -0.03   0.03   0.04    -0.01  -0.04  -0.03    -0.08   0.23   0.15
    18   1     0.12  -0.00   0.05     0.14  -0.04   0.12    -0.34   0.05  -0.19
    19   1    -0.25  -0.26   0.20    -0.27  -0.33   0.23     0.13   0.16  -0.11
    20   8     0.15  -0.19  -0.09    -0.01   0.02   0.03     0.06  -0.08  -0.05
    21   1    -0.11  -0.12   0.03    -0.02  -0.27  -0.07    -0.06   0.11   0.06
    22   1    -0.34   0.34   0.21     0.11   0.11   0.25    -0.26   0.17   0.00
    23   1     0.03   0.06   0.01    -0.04  -0.04   0.02     0.05   0.26   0.03
    24   1    -0.28   0.09   0.19    -0.16   0.11   0.09    -0.15   0.05   0.08
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.7876              1091.4433              1099.7991
 Red. masses --      4.3942                 2.3840                 2.9182
 Frc consts  --      3.0242                 1.6733                 2.0797
 IR Inten    --    142.3560                19.9699               168.4029
 RamAct Fr= 1--      2.1925                 5.5525                 9.6235
  Dep-P Fr= 1--      0.7458                 0.6246                 0.6679
  Dep-U Fr= 1--      0.8544                 0.7689                 0.8009
 Alpha2 Fr= 1--      0.0002                 0.0127                 0.0140
 Beta2  Fr= 1--      0.3122                 0.7116                 1.2846
 AlphaG Fr= 1--     -0.0016                 0.0143                -0.0066
 Gamma2 Fr= 1--      0.5554                -0.4693                -0.3312
 Delta2 Fr= 1--      0.3166                 0.2715                -0.6253
 Raman1 Fr= 1--       8.770                 22.210                 38.494
 ROA1   Fr= 1--      63.448                -36.362                -51.809
 CID1   Fr= 1--       7.235                 -1.637                 -1.346
 Raman2 Fr= 1--       3.747                  8.539                 15.415
 ROA2   Fr= 1--      10.796                -13.435                 -2.947
 CID2   Fr= 1--       2.882                 -1.573                 -0.191
 Raman3 Fr= 1--       7.493                 17.077                 30.830
 ROA3   Fr= 1--      63.448                -36.362                -51.809
 CID3   Fr= 1--       8.468                 -2.129                 -1.680
 RC180  Fr= 1--       0.709                  0.538                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.19   0.03     0.07   0.00  -0.04    -0.16   0.23   0.01
     2   6     0.03   0.05  -0.13    -0.10  -0.02   0.03     0.01  -0.09  -0.00
     3   6     0.13   0.15  -0.06    -0.03  -0.14  -0.01     0.16   0.05  -0.05
     4   6     0.12   0.23  -0.01    -0.09   0.18  -0.06    -0.07   0.07   0.04
     5   8    -0.07  -0.17   0.05    -0.04  -0.09   0.04     0.01  -0.03   0.00
     6   6    -0.03   0.03   0.05     0.06   0.00  -0.03    -0.03   0.04   0.03
     7   8    -0.04   0.04   0.01    -0.02   0.03   0.03     0.06  -0.12  -0.08
     8   1    -0.21  -0.30   0.03     0.19   0.13  -0.03    -0.18   0.29  -0.00
     9   8    -0.00   0.02  -0.00     0.04  -0.00   0.03     0.02  -0.01   0.02
    10   1     0.01   0.05  -0.13    -0.13   0.12   0.04     0.11  -0.25   0.00
    11   1     0.20   0.14  -0.06     0.07  -0.26  -0.02     0.42   0.00  -0.05
    12   8    -0.03  -0.10   0.06     0.04   0.06  -0.04    -0.01  -0.06   0.02
    13   6    -0.19   0.08   0.02    -0.01  -0.00   0.10    -0.00   0.00   0.02
    14   1     0.29   0.20   0.01    -0.16   0.25  -0.05    -0.13   0.07   0.04
    15   8     0.03   0.02  -0.00    -0.00  -0.02   0.00     0.00  -0.00   0.00
    16   1    -0.10  -0.04   0.05     0.09   0.11  -0.03    -0.04   0.06   0.03
    17   1    -0.10   0.18   0.12     0.06  -0.19  -0.13    -0.05   0.19   0.15
    18   1     0.32  -0.04   0.21    -0.11   0.03  -0.08    -0.34   0.06  -0.21
    19   1     0.02  -0.04   0.00    -0.12  -0.13   0.09    -0.24  -0.32   0.17
    20   8     0.07  -0.09  -0.05     0.01  -0.01  -0.02     0.01  -0.00  -0.00
    21   1    -0.16   0.19   0.01     0.09   0.34   0.10     0.06   0.04   0.02
    22   1    -0.16   0.02  -0.11     0.24  -0.22  -0.20     0.08  -0.05  -0.01
    23   1    -0.06  -0.14  -0.01     0.05   0.26   0.01     0.01  -0.04   0.00
    24   1     0.10  -0.11  -0.05     0.29  -0.19  -0.18     0.05  -0.03  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1103.8064              1132.4982              1160.3961
 Red. masses --      3.3518                 3.5096                 2.8263
 Frc consts  --      2.4061                 2.6521                 2.2423
 IR Inten    --    102.2221                 8.1133                43.8307
 RamAct Fr= 1--     12.5190                 9.0102                 4.0672
  Dep-P Fr= 1--      0.4225                 0.7470                 0.4895
  Dep-U Fr= 1--      0.5940                 0.8552                 0.6573
 Alpha2 Fr= 1--      0.0854                 0.0005                 0.0211
 Beta2  Fr= 1--      1.2394                 1.2842                 0.4456
 AlphaG Fr= 1--     -0.0207                -0.0005                -0.0080
 Gamma2 Fr= 1--      1.0582                -1.8706                 2.6618
 Delta2 Fr= 1--      0.6114                -1.2298                 1.7966
 Raman1 Fr= 1--      50.076                 36.041                 16.269
 ROA1   Fr= 1--     121.155               -218.928                313.023
 CID1   Fr= 1--       2.419                 -6.074                 19.241
 Raman2 Fr= 1--      14.873                 15.411                  5.347
 ROA2   Fr= 1--      20.507                -35.055                 49.510
 CID2   Fr= 1--       1.379                 -2.275                  9.260
 Raman3 Fr= 1--      29.746                 30.821                 10.693
 ROA3   Fr= 1--     121.155               -218.928                313.023
 CID3   Fr= 1--       4.073                 -7.103                 29.273
 RC180  Fr= 1--       0.188                  0.710                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03     0.04  -0.09  -0.05     0.04  -0.10  -0.02
     2   6     0.23   0.08   0.10    -0.19   0.03   0.01     0.10  -0.04  -0.08
     3   6     0.03  -0.05   0.09     0.10   0.21  -0.05     0.02   0.04  -0.00
     4   6    -0.08   0.00  -0.08    -0.16  -0.09  -0.05    -0.10  -0.08  -0.03
     5   8     0.02   0.03   0.04     0.03   0.04  -0.03     0.08   0.03   0.00
     6   6    -0.08  -0.18  -0.01     0.05  -0.14  -0.03    -0.08   0.23  -0.01
     7   8    -0.01  -0.01  -0.01    -0.03   0.01   0.02    -0.03   0.03   0.02
     8   1    -0.09  -0.22  -0.03     0.14  -0.13  -0.06     0.05  -0.16  -0.02
     9   8    -0.12  -0.01  -0.09     0.09   0.01   0.04    -0.04   0.01  -0.01
    10   1     0.29   0.23   0.10    -0.35   0.28   0.02     0.21  -0.18  -0.09
    11   1     0.21  -0.14   0.08     0.30   0.22  -0.05     0.05   0.07  -0.00
    12   8     0.02   0.04  -0.03    -0.05  -0.10   0.06    -0.00  -0.01   0.01
    13   6     0.03  -0.00   0.11     0.09  -0.00   0.09     0.04   0.02   0.08
    14   1    -0.13   0.10  -0.08    -0.28  -0.22  -0.07    -0.36  -0.18  -0.04
    15   8     0.03   0.11  -0.04     0.00   0.06  -0.03    -0.02  -0.14   0.04
    16   1    -0.15  -0.24  -0.01     0.23  -0.19  -0.03    -0.15   0.52  -0.01
    17   1    -0.13   0.34   0.22    -0.09   0.20   0.15    -0.09   0.18   0.12
    18   1     0.12  -0.06   0.08     0.05   0.02   0.02     0.06  -0.01   0.06
    19   1    -0.07  -0.07   0.05     0.06   0.02  -0.03    -0.02  -0.03   0.02
    20   8    -0.00   0.00  -0.02    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    21   1     0.12   0.25   0.11     0.19   0.11   0.10    -0.02   0.19   0.09
    22   1     0.13  -0.14  -0.15     0.15  -0.07  -0.03     0.25  -0.11  -0.03
    23   1    -0.01  -0.11  -0.04     0.05   0.14  -0.02     0.02   0.18   0.06
    24   1     0.13  -0.08  -0.08    -0.02   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.1407              1231.4765              1235.7487
 Red. masses --      1.2833                 1.2258                 1.1992
 Frc consts  --      1.0945                 1.0953                 1.0790
 IR Inten    --     35.7155                29.6657                14.9894
 RamAct Fr= 1--      1.1409                 5.1576                 4.7279
  Dep-P Fr= 1--      0.7175                 0.7497                 0.5274
  Dep-U Fr= 1--      0.8355                 0.8569                 0.6906
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0204
 Beta2  Fr= 1--      0.1589                 0.7366                 0.5442
 AlphaG Fr= 1--      0.0028                 0.0014                -0.0013
 Gamma2 Fr= 1--      0.5903                -1.8199                -1.3967
 Delta2 Fr= 1--      0.9369                -1.0015                -0.6116
 Raman1 Fr= 1--       4.564                 20.630                 18.912
 ROA1   Fr= 1--      86.654               -206.754               -153.654
 CID1   Fr= 1--      18.987                -10.022                 -8.125
 Raman2 Fr= 1--       1.906                  8.840                  6.530
 ROA2   Fr= 1--       6.673                -35.665                -28.627
 CID2   Fr= 1--       3.500                 -4.035                 -4.384
 Raman3 Fr= 1--       3.813                 17.679                 13.061
 ROA3   Fr= 1--      86.654               -206.754               -153.654
 CID3   Fr= 1--      22.726                -11.695                -11.765
 RC180  Fr= 1--       0.671                  0.714                  0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.04    -0.04  -0.03   0.06     0.03   0.02  -0.01
     2   6     0.04  -0.02  -0.01     0.01   0.00  -0.02    -0.01   0.00   0.05
     3   6    -0.04  -0.01  -0.06    -0.00   0.01  -0.01    -0.04  -0.01  -0.04
     4   6    -0.04   0.05   0.05     0.05  -0.04   0.04     0.01   0.00   0.06
     5   8     0.01  -0.00   0.00    -0.01   0.02  -0.02    -0.01   0.01  -0.02
     6   6     0.00  -0.01   0.00     0.02  -0.02  -0.00     0.02  -0.00  -0.01
     7   8    -0.01   0.00  -0.01     0.02   0.01  -0.01    -0.02  -0.02  -0.00
     8   1     0.38   0.16   0.05    -0.08   0.16   0.08     0.53   0.00  -0.03
     9   8    -0.01  -0.01  -0.00     0.00  -0.02   0.01    -0.01   0.01  -0.01
    10   1     0.12   0.45   0.01     0.18   0.49   0.01    -0.10  -0.29   0.03
    11   1     0.38  -0.17  -0.07    -0.08   0.27  -0.01     0.02   0.01  -0.04
    12   8    -0.00   0.00   0.01     0.00  -0.00   0.01     0.01   0.00   0.00
    13   6     0.01  -0.03  -0.04    -0.02   0.06  -0.01    -0.02   0.04  -0.04
    14   1     0.19  -0.08   0.05    -0.03  -0.15   0.04     0.18  -0.20   0.06
    15   8    -0.01  -0.02  -0.01    -0.00   0.00  -0.01     0.00   0.01   0.00
    16   1    -0.10   0.18  -0.00    -0.05  -0.03  -0.00    -0.03  -0.11  -0.01
    17   1    -0.07   0.17   0.12     0.06  -0.14  -0.09    -0.15   0.36   0.25
    18   1    -0.17   0.02  -0.11    -0.29   0.04  -0.19     0.17  -0.02   0.11
    19   1     0.09   0.10  -0.07    -0.03  -0.05   0.03    -0.06  -0.07   0.04
    20   8     0.01   0.01   0.02    -0.01  -0.01  -0.01    -0.01  -0.01   0.01
    21   1     0.22  -0.21  -0.04    -0.35   0.16  -0.01    -0.20   0.02  -0.04
    22   1    -0.16   0.07   0.03     0.34  -0.10   0.05     0.29  -0.08   0.06
    23   1     0.05   0.22   0.00     0.02   0.03  -0.00    -0.04  -0.14  -0.00
    24   1    -0.13   0.09   0.08     0.26  -0.18  -0.16     0.21  -0.15  -0.13
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1254.4963              1267.1410              1318.8448
 Red. masses --      1.1948                 1.2908                 1.2727
 Frc consts  --      1.1079                 1.2211                 1.3042
 IR Inten    --     19.8189                64.2880                42.2272
 RamAct Fr= 1--      4.9082                 2.9273                 2.3405
  Dep-P Fr= 1--      0.3024                 0.1925                 0.7375
  Dep-U Fr= 1--      0.4644                 0.3229                 0.8489
 Alpha2 Fr= 1--      0.0500                 0.0405                 0.0005
 Beta2  Fr= 1--      0.3799                 0.1575                 0.3311
 AlphaG Fr= 1--      0.0785                -0.0074                 0.0010
 Gamma2 Fr= 1--      0.7547                -1.1174                 2.2742
 Delta2 Fr= 1--     -0.4462                -0.8782                 0.7710
 Raman1 Fr= 1--      19.633                 11.709                  9.362
 ROA1   Fr= 1--      58.169               -135.372                242.995
 CID1   Fr= 1--       2.963                -11.561                 25.955
 Raman2 Fr= 1--       4.558                  1.890                  3.974
 ROA2   Fr= 1--      21.681                -19.792                 48.412
 CID2   Fr= 1--       4.756                -10.471                 12.183
 Raman3 Fr= 1--       9.117                  3.780                  7.947
 ROA3   Fr= 1--      58.169               -135.372                242.995
 CID3   Fr= 1--       6.380                -35.808                 30.575
 RC180  Fr= 1--      -0.071                 -0.354                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.04     0.01  -0.03   0.01    -0.01  -0.01  -0.03
     2   6     0.02  -0.03  -0.01    -0.05   0.07   0.03    -0.00  -0.00  -0.01
     3   6    -0.03   0.00  -0.02    -0.02   0.00  -0.03    -0.04   0.04   0.08
     4   6     0.03  -0.01  -0.07    -0.01   0.01  -0.04    -0.08   0.03  -0.03
     5   8    -0.01   0.00   0.02     0.01  -0.02   0.02     0.01  -0.00   0.00
     6   6     0.00  -0.04   0.02    -0.02   0.07  -0.05     0.00   0.01  -0.01
     7   8    -0.00  -0.01  -0.02    -0.01   0.00   0.01     0.01   0.02   0.02
     8   1     0.20   0.14   0.05     0.27  -0.06   0.00    -0.16  -0.12  -0.03
     9   8    -0.01   0.01   0.00     0.01  -0.03  -0.01     0.00   0.00   0.00
    10   1    -0.19   0.09  -0.01     0.52  -0.08   0.05     0.00  -0.00  -0.01
    11   1    -0.33   0.50  -0.03    -0.06   0.27  -0.04     0.11   0.10   0.07
    12   8     0.04  -0.01  -0.00     0.01  -0.00   0.01     0.03  -0.00  -0.02
    13   6     0.01  -0.02   0.02     0.01  -0.02   0.02    -0.02   0.01  -0.03
    14   1     0.03   0.18  -0.07    -0.02   0.13  -0.05     0.56  -0.42  -0.02
    15   8    -0.00  -0.00  -0.01     0.01   0.00   0.02     0.00  -0.00   0.00
    16   1    -0.06   0.18   0.02     0.20  -0.29  -0.03    -0.11  -0.02  -0.01
    17   1    -0.06   0.14   0.10    -0.01   0.02   0.02     0.09  -0.22  -0.14
    18   1     0.12  -0.02   0.07    -0.33   0.05  -0.20     0.01  -0.00   0.01
    19   1    -0.28  -0.36   0.23    -0.09  -0.11   0.07    -0.24  -0.31   0.19
    20   8     0.00   0.00  -0.01     0.01   0.01  -0.00    -0.00   0.01   0.02
    21   1     0.04   0.02   0.02     0.11  -0.02   0.02     0.27  -0.19  -0.03
    22   1    -0.16   0.04  -0.06    -0.12   0.02  -0.04     0.16  -0.05   0.04
    23   1     0.05   0.25  -0.00    -0.07  -0.41   0.01    -0.02  -0.04   0.00
    24   1    -0.11   0.08   0.07    -0.10   0.07   0.06     0.04  -0.02  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1324.0605              1346.3733              1364.1466
 Red. masses --      1.2235                 1.2491                 1.2509
 Frc consts  --      1.2637                 1.3341                 1.3715
 IR Inten    --     10.8097                56.4208                17.1647
 RamAct Fr= 1--      3.3522                 2.0494                 2.1175
  Dep-P Fr= 1--      0.7500                 0.6977                 0.3054
  Dep-U Fr= 1--      0.8571                 0.8219                 0.4679
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0214
 Beta2  Fr= 1--      0.4789                 0.2807                 0.1651
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0074
 Gamma2 Fr= 1--      0.1881                -0.6152                -0.5650
 Delta2 Fr= 1--      0.2077                 0.8228                -0.3411
 Raman1 Fr= 1--      13.409                  8.198                  8.470
 ROA1   Fr= 1--      24.704                -32.734                -65.156
 CID1   Fr= 1--       1.842                 -3.993                 -7.692
 Raman2 Fr= 1--       5.747                  3.369                  1.981
 ROA2   Fr= 1--       2.853                -21.348                -10.832
 CID2   Fr= 1--       0.497                 -6.337                 -5.466
 Raman3 Fr= 1--      11.493                  6.738                  3.963
 ROA3   Fr= 1--      24.704                -32.734                -65.156
 CID3   Fr= 1--       2.149                 -4.858                -16.441
 RC180  Fr= 1--       0.714                  0.644                 -0.064
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.07  -0.05  -0.06     0.01   0.03  -0.01
     2   6     0.01   0.02  -0.02    -0.02  -0.03   0.05     0.03  -0.00  -0.02
     3   6     0.00  -0.00   0.00    -0.02  -0.02  -0.01    -0.02  -0.02  -0.02
     4   6    -0.03  -0.04   0.00    -0.00  -0.04   0.00    -0.01  -0.07  -0.02
     5   8    -0.02  -0.01  -0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.04
     6   6    -0.07  -0.02   0.07    -0.02  -0.01   0.00     0.04   0.02  -0.05
     7   8    -0.01  -0.01  -0.00     0.02   0.02   0.01    -0.00   0.00   0.01
     8   1    -0.07  -0.27   0.00     0.07   0.42  -0.03    -0.01  -0.26  -0.03
     9   8     0.00  -0.01   0.00    -0.01   0.03  -0.03     0.00  -0.01   0.02
    10   1     0.10   0.00  -0.01     0.20  -0.12   0.06    -0.35   0.08  -0.05
    11   1    -0.05  -0.05   0.00     0.42   0.34  -0.03     0.22   0.21  -0.03
    12   8    -0.00   0.00  -0.00    -0.01  -0.00   0.02    -0.01   0.00   0.02
    13   6    -0.01   0.03  -0.03     0.00   0.02  -0.01    -0.01   0.05  -0.02
    14   1     0.33   0.33  -0.00     0.05   0.26  -0.00     0.05   0.53  -0.03
    15   8     0.00  -0.01  -0.02     0.00   0.00   0.01    -0.00   0.00   0.01
    16   1     0.68   0.10   0.09     0.22   0.13   0.01    -0.34  -0.02  -0.06
    17   1    -0.05   0.12   0.08     0.11  -0.26  -0.17    -0.00   0.01   0.00
    18   1    -0.09   0.01  -0.06     0.37  -0.05   0.22    -0.15   0.02  -0.09
    19   1     0.01   0.02  -0.01     0.06   0.07  -0.05     0.07   0.09  -0.05
    20   8    -0.01   0.00   0.01    -0.01  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.04  -0.09  -0.03     0.00  -0.03  -0.01     0.26  -0.18  -0.02
    22   1     0.18  -0.03   0.05     0.05   0.00   0.02     0.04   0.07   0.08
    23   1     0.09   0.29  -0.00    -0.01  -0.02   0.01    -0.04  -0.19   0.00
    24   1     0.10  -0.07  -0.06     0.05  -0.04  -0.03     0.21  -0.16  -0.13
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.1466              1383.7204              1397.5560
 Red. masses --      1.2765                 1.2842                 1.3175
 Frc consts  --      1.4139                 1.4487                 1.5161
 IR Inten    --      3.4623                24.4296                 5.6600
 RamAct Fr= 1--      3.6992                 6.7239                 4.8796
  Dep-P Fr= 1--      0.5459                 0.7149                 0.7489
  Dep-U Fr= 1--      0.7062                 0.8338                 0.8564
 Alpha2 Fr= 1--      0.0145                 0.0041                 0.0001
 Beta2  Fr= 1--      0.4354                 0.9344                 0.6965
 AlphaG Fr= 1--     -0.0190                 0.0268                 0.0023
 Gamma2 Fr= 1--     -0.1245                 0.0349                 0.5232
 Delta2 Fr= 1--     -0.0472                -1.4212                -1.5966
 Raman1 Fr= 1--      14.797                 26.896                 19.519
 ROA1   Fr= 1--     -13.462                -42.133                 -0.866
 CID1   Fr= 1--      -0.910                 -1.567                 -0.044
 Raman2 Fr= 1--       5.225                 11.212                  8.358
 ROA2   Fr= 1--      -2.611                 12.206                 25.330
 CID2   Fr= 1--      -0.500                  1.089                  3.031
 Raman3 Fr= 1--      10.450                 22.425                 16.716
 ROA3   Fr= 1--     -13.462                -42.133                 -0.866
 CID3   Fr= 1--      -1.288                 -1.879                 -0.052
 RC180  Fr= 1--       0.412                  0.668                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05   0.04    -0.01  -0.01   0.00     0.01   0.03  -0.00
     2   6    -0.02  -0.04   0.03    -0.04   0.06  -0.01     0.04  -0.07   0.02
     3   6     0.06   0.04   0.00     0.02  -0.02  -0.00    -0.05  -0.00   0.01
     4   6    -0.03  -0.02  -0.03     0.03   0.02  -0.02     0.07   0.05  -0.01
     5   8     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.01  -0.02
     6   6     0.01   0.02  -0.05     0.02  -0.05   0.08    -0.07   0.04  -0.03
     7   8    -0.01  -0.01  -0.03     0.00  -0.00   0.00     0.00   0.00   0.00
     8   1    -0.16   0.52   0.09     0.07  -0.00  -0.00    -0.02  -0.11  -0.01
     9   8    -0.00   0.01  -0.01     0.00  -0.00  -0.01    -0.00   0.01  -0.00
    10   1     0.06   0.17   0.05     0.37  -0.30  -0.00    -0.24   0.30   0.02
    11   1    -0.46  -0.30   0.03    -0.11   0.08  -0.01     0.15   0.06  -0.00
    12   8    -0.00   0.00  -0.01    -0.01   0.00   0.00     0.01  -0.00  -0.00
    13   6    -0.02   0.04  -0.01    -0.01   0.05  -0.01     0.01   0.02   0.00
    14   1     0.07   0.11  -0.03    -0.23  -0.17  -0.02    -0.36  -0.32  -0.01
    15   8     0.00   0.01   0.02    -0.00  -0.01  -0.04     0.00   0.00   0.01
    16   1     0.05   0.04  -0.05    -0.23  -0.04   0.07     0.45  -0.16  -0.02
    17   1    -0.07   0.16   0.11     0.01  -0.02  -0.01    -0.00   0.00   0.00
    18   1     0.13  -0.01   0.08    -0.03   0.01  -0.02     0.09  -0.01   0.05
    19   1     0.01   0.02  -0.01     0.04   0.05  -0.03    -0.07  -0.09   0.05
    20   8    -0.01  -0.00   0.02    -0.03  -0.02   0.03    -0.03  -0.02   0.02
    21   1     0.33  -0.18  -0.01     0.37  -0.20  -0.01     0.18  -0.07   0.00
    22   1     0.07   0.02   0.07    -0.18   0.18   0.11    -0.31   0.20   0.07
    23   1    -0.06  -0.24   0.01     0.08   0.38  -0.02    -0.02  -0.14   0.00
    24   1     0.14  -0.10  -0.08     0.29  -0.23  -0.18     0.23  -0.18  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1417.3140              1425.7735              1435.0737
 Red. masses --      1.5134                 1.4777                 1.3875
 Frc consts  --      1.7912                 1.7699                 1.6835
 IR Inten    --     11.7913                43.0301                 9.3095
 RamAct Fr= 1--      7.3496                 4.9435                 3.0274
  Dep-P Fr= 1--      0.7500                 0.6318                 0.3161
  Dep-U Fr= 1--      0.8571                 0.7744                 0.4804
 Alpha2 Fr= 1--      0.0000                 0.0106                 0.0296
 Beta2  Fr= 1--      1.0499                 0.6380                 0.2424
 AlphaG Fr= 1--     -0.0001                -0.0235                -0.0290
 Gamma2 Fr= 1--      0.9596                -0.9729                 0.1532
 Delta2 Fr= 1--      1.2763                -0.2127                 0.2969
 Raman1 Fr= 1--      29.398                 19.774                 12.110
 ROA1   Fr= 1--     132.962               -100.204                 24.202
 CID1   Fr= 1--       4.523                 -5.067                  1.999
 Raman2 Fr= 1--      12.599                  7.656                  2.909
 ROA2   Fr= 1--      12.820                -21.648                  1.301
 CID2   Fr= 1--       1.017                 -2.828                  0.447
 Raman3 Fr= 1--      25.199                 15.312                  5.817
 ROA3   Fr= 1--     132.962               -100.204                 24.202
 CID3   Fr= 1--       5.277                 -6.544                  4.161
 RC180  Fr= 1--       0.714                  0.549                 -0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.06   0.01     0.08   0.06   0.01    -0.10   0.04   0.01
     2   6    -0.10  -0.07  -0.01    -0.05  -0.06   0.00    -0.02  -0.05  -0.01
     3   6    -0.08   0.05   0.00    -0.01  -0.09  -0.00     0.02   0.07  -0.01
     4   6     0.00  -0.03   0.01     0.03   0.02  -0.00     0.06  -0.04   0.00
     5   8     0.00   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.00
     6   6     0.04  -0.01   0.00     0.01   0.01   0.00     0.00  -0.02  -0.01
     7   8    -0.01  -0.01  -0.01    -0.02  -0.02  -0.02     0.02   0.01   0.03
     8   1    -0.24  -0.21   0.01    -0.29  -0.11   0.01     0.45  -0.40  -0.05
     9   8    -0.00   0.02  -0.03    -0.00   0.01  -0.01    -0.00   0.02  -0.01
    10   1     0.51   0.21   0.05     0.22   0.17   0.03     0.17   0.18   0.01
    11   1     0.21  -0.21   0.01     0.08   0.40  -0.03    -0.16  -0.31   0.01
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02     0.01  -0.01  -0.01
    13   6     0.07  -0.00  -0.01    -0.10  -0.01   0.00    -0.07   0.01   0.00
    14   1     0.07   0.21   0.01    -0.13  -0.17   0.00    -0.23   0.11  -0.00
    15   8    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.01   0.01
    16   1    -0.24   0.08  -0.01    -0.06  -0.09   0.00    -0.01   0.19  -0.02
    17   1    -0.05   0.12   0.09    -0.09   0.20   0.13     0.10  -0.23  -0.15
    18   1     0.23  -0.03   0.14     0.14  -0.02   0.09     0.15  -0.02   0.09
    19   1    -0.13  -0.17   0.10     0.13   0.17  -0.10    -0.08  -0.11   0.07
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.01   0.01  -0.00
    21   1    -0.29   0.07  -0.01     0.33  -0.07   0.01     0.25  -0.04   0.00
    22   1    -0.24   0.15   0.00     0.37  -0.25  -0.03     0.25  -0.14   0.03
    23   1    -0.01  -0.03  -0.00     0.00   0.03  -0.00    -0.02  -0.08   0.01
    24   1     0.11  -0.09  -0.07    -0.22   0.18   0.13    -0.09   0.08   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1439.2293              1446.1084              1495.5429
 Red. masses --      1.2955                 1.7373                 1.0879
 Frc consts  --      1.5811                 2.1406                 1.4336
 IR Inten    --     43.0583                36.2081                 3.1382
 RamAct Fr= 1--      1.4165                 5.9940                 6.8232
  Dep-P Fr= 1--      0.3671                 0.7202                 0.7499
  Dep-U Fr= 1--      0.5371                 0.8373                 0.8571
 Alpha2 Fr= 1--      0.0118                 0.0031                 0.0000
 Beta2  Fr= 1--      0.1268                 0.8365                 0.9747
 AlphaG Fr= 1--      0.0446                -0.0037                -0.0006
 Gamma2 Fr= 1--      0.0319                 1.1970                 0.3363
 Delta2 Fr= 1--      0.0336                 0.0026                 0.4341
 Raman1 Fr= 1--       5.666                 23.976                 27.293
 ROA1   Fr= 1--       4.139                114.998                 46.173
 CID1   Fr= 1--       0.731                  4.796                  1.692
 Raman2 Fr= 1--       1.522                 10.038                 11.696
 ROA2   Fr= 1--       0.497                 28.708                  4.597
 CID2   Fr= 1--       0.326                  2.860                  0.393
 Raman3 Fr= 1--       3.043                 20.075                 23.392
 ROA3   Fr= 1--       4.139                114.998                 46.173
 CID3   Fr= 1--       1.360                  5.728                  1.974
 RC180  Fr= 1--       0.074                  0.675                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.01    -0.07   0.05   0.00     0.00   0.00   0.00
     2   6    -0.02   0.03  -0.02    -0.01  -0.09   0.01    -0.00  -0.00  -0.00
     3   6     0.04  -0.05   0.00     0.13  -0.07  -0.01     0.00  -0.00   0.00
     4   6    -0.02   0.05  -0.00    -0.11   0.03  -0.01    -0.01  -0.00  -0.00
     5   8    -0.00   0.00  -0.01     0.02  -0.01   0.01     0.00   0.00   0.00
     6   6     0.01  -0.10  -0.04     0.00   0.06   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.01   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
     8   1    -0.01  -0.15  -0.01     0.26  -0.28  -0.03    -0.00   0.00   0.00
     9   8     0.01  -0.01   0.00    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    10   1     0.06  -0.04  -0.02     0.10   0.27   0.03     0.00   0.00   0.00
    11   1    -0.09   0.20  -0.00    -0.37   0.23  -0.00    -0.01   0.02  -0.00
    12   8    -0.01   0.00   0.01    -0.03   0.00   0.02    -0.00   0.00   0.00
    13   6     0.02  -0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1     0.05  -0.21  -0.01     0.33  -0.06  -0.01     0.08   0.02  -0.00
    15   8     0.00   0.03   0.05    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.10   0.79  -0.08    -0.07  -0.32   0.01    -0.01  -0.02   0.00
    17   1    -0.01   0.03   0.01     0.04  -0.10  -0.07    -0.00   0.00   0.00
    18   1    -0.05   0.01  -0.03     0.21  -0.02   0.12     0.00  -0.00   0.00
    19   1     0.08   0.11  -0.07     0.18   0.24  -0.15     0.01   0.01  -0.01
    20   8    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.00  -0.01  -0.01
    21   1    -0.03   0.01  -0.00    -0.20   0.01  -0.00     0.22   0.66  -0.01
    22   1    -0.12   0.08   0.01    -0.19   0.12  -0.04     0.01   0.19   0.68
    23   1    -0.08  -0.38   0.03     0.01   0.08  -0.01     0.00   0.01  -0.00
    24   1     0.07  -0.05  -0.04     0.08  -0.06  -0.05    -0.02   0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2990.9439              2991.9423              2996.3913
 Red. masses --      1.0809                 1.0803                 1.0809
 Frc consts  --      5.6971                 5.6976                 5.7180
 IR Inten    --      2.3858                 5.4016                 8.3265
 RamAct Fr= 1--     47.6541               347.9409               208.3065
  Dep-P Fr= 1--      0.1595                 0.1676                 0.1489
  Dep-U Fr= 1--      0.2751                 0.2871                 0.2592
 Alpha2 Fr= 1--      0.7191                 5.1420                 3.2292
 Beta2  Fr= 1--      2.1848                16.6499                 8.9988
 AlphaG Fr= 1--      0.3333                 0.2774                 1.1756
 Gamma2 Fr= 1--     12.7701                 2.9368                -9.7145
 Delta2 Fr= 1--     10.7793                 3.1715               -20.0242
 Raman1 Fr= 1--     190.617               1391.764                833.226
 ROA1   Fr= 1--    1570.864                383.416              -1573.369
 CID1   Fr= 1--       8.241                  0.275                 -1.888
 Raman2 Fr= 1--      26.218                199.798                107.986
 ROA2   Fr= 1--     220.248                 45.110                -72.956
 CID2   Fr= 1--       8.401                  0.226                 -0.676
 Raman3 Fr= 1--      52.436                399.597                215.972
 ROA3   Fr= 1--    1570.864                383.416              -1573.369
 CID3   Fr= 1--      29.958                  0.960                 -7.285
 RC180  Fr= 1--      -0.450                 -0.426                 -0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.00   0.01  -0.06    -0.00   0.00  -0.01
     2   6     0.00   0.00  -0.04    -0.00  -0.00   0.03     0.00   0.00  -0.05
     3   6     0.00   0.00   0.04     0.00   0.00   0.04     0.00   0.00   0.02
     4   6    -0.00  -0.00  -0.05     0.00  -0.00  -0.01     0.00   0.00   0.05
     5   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.01
     7   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01   0.01  -0.17     0.03  -0.05   0.72     0.00  -0.01   0.16
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.03  -0.02   0.50     0.02   0.02  -0.41    -0.04  -0.03   0.61
    11   1    -0.02  -0.02  -0.51    -0.01  -0.02  -0.54    -0.01  -0.01  -0.29
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.03
    14   1    -0.01   0.00   0.64    -0.00   0.00   0.09     0.01  -0.00  -0.56
    15   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.01  -0.00  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.13
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1     0.00   0.01  -0.19    -0.00  -0.00   0.06    -0.01  -0.02   0.41
    22   1    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.03   0.05  -0.03
    23   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3005.4325              3012.7587              3026.9229
 Red. masses --      1.0780                 1.0805                 1.0859
 Frc consts  --      5.7372                 5.7782                 5.8618
 IR Inten    --      6.9245               206.2102               131.0043
 RamAct Fr= 1--     14.9118                56.5261                99.9083
  Dep-P Fr= 1--      0.1279                 0.1506                 0.1886
  Dep-U Fr= 1--      0.2268                 0.2617                 0.3174
 Alpha2 Fr= 1--      0.2437                 0.8726                 1.3982
 Beta2  Fr= 1--      0.5636                 2.4655                 5.2845
 AlphaG Fr= 1--     -0.0835                -0.6348                -1.2032
 Gamma2 Fr= 1--    -10.2169                 1.9813                -2.2089
 Delta2 Fr= 1--     -5.1915                 3.8367                 4.1044
 Raman1 Fr= 1--      59.647                226.104                399.633
 ROA1   Fr= 1--   -1146.947                312.983                -80.714
 CID1   Fr= 1--     -19.229                  1.384                 -0.202
 Raman2 Fr= 1--       6.763                 29.586                 63.414
 ROA2   Fr= 1--    -203.673                 16.859                -85.849
 CID2   Fr= 1--     -30.117                  0.570                 -1.354
 Raman3 Fr= 1--      13.526                 59.173                126.828
 ROA3   Fr= 1--   -1146.947                312.983                -80.714
 CID3   Fr= 1--     -84.799                  5.289                 -0.636
 RC180  Fr= 1--      -0.546                 -0.477                 -0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.04    -0.00   0.00  -0.03    -0.00   0.00  -0.02
     2   6    -0.00  -0.00   0.03     0.00   0.00  -0.01     0.00   0.00  -0.02
     3   6     0.00   0.00   0.03    -0.00  -0.00  -0.04    -0.00  -0.00  -0.01
     4   6     0.00   0.00  -0.01     0.00  -0.00  -0.04     0.00   0.00  -0.01
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.02    -0.00   0.00   0.02     0.00  -0.00  -0.08
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.02   0.04  -0.51     0.02  -0.03   0.35     0.01  -0.02   0.18
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.02   0.02  -0.34    -0.01  -0.01   0.17    -0.02  -0.01   0.23
    11   1    -0.01  -0.01  -0.32     0.01   0.02   0.49     0.00   0.00   0.08
    12   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    13   6    -0.01  -0.01  -0.05    -0.01  -0.01  -0.04    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.10    -0.01   0.01   0.49    -0.00  -0.00   0.06
    15   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.01   0.20     0.01  -0.00  -0.19    -0.03   0.03   0.94
    17   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.01  -0.03   0.67    -0.00  -0.02   0.55     0.00   0.00   0.00
    22   1     0.06   0.13  -0.05     0.06   0.12  -0.05     0.00   0.01  -0.00
    23   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    24   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3119.2405              3744.3213              3768.0679
 Red. masses --      1.0935                 1.0656                 1.0657
 Frc consts  --      6.2684                 8.8018                 8.9150
 IR Inten    --     23.8574                64.8298                72.8784
 RamAct Fr= 1--    113.3670               103.3615                60.1587
  Dep-P Fr= 1--      0.3231                 0.1531                 0.0860
  Dep-U Fr= 1--      0.4884                 0.2655                 0.1584
 Alpha2 Fr= 1--      1.0837                 1.5854                 1.0899
 Beta2  Fr= 1--      9.2287                 4.5740                 1.5877
 AlphaG Fr= 1--      0.5555                -0.2799                 0.1341
 Gamma2 Fr= 1--      3.4797                -1.7553                 1.8914
 Delta2 Fr= 1--      4.0689                -0.6781                 0.1951
 Raman1 Fr= 1--     453.468                413.446                240.635
 ROA1   Fr= 1--     464.254               -190.209                187.819
 CID1   Fr= 1--       1.024                 -0.460                  0.781
 Raman2 Fr= 1--     110.744                 54.888                 19.053
 ROA2   Fr= 1--      50.961                -36.703                 43.834
 CID2   Fr= 1--       0.460                 -0.669                  2.301
 Raman3 Fr= 1--     221.488                109.775                 38.106
 ROA3   Fr= 1--     464.254               -190.209                187.819
 CID3   Fr= 1--       2.096                 -1.733                  4.929
 RC180  Fr= 1--      -0.023                 -0.469                 -0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   8    -0.00  -0.00  -0.00     0.00   0.00  -0.06     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00   0.02     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.06   0.02
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.05   0.01
    21   1    -0.01  -0.00  -0.19     0.00   0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.01   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.05  -0.03   1.00    -0.00  -0.00   0.00
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.44   0.87  -0.20
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3769.6213              3786.3090              3787.5503
 Red. masses --      1.0660                 1.0661                 1.0660
 Frc consts  --      8.9248                 9.0049                 9.0104
 IR Inten    --     76.9539                57.2386               112.8385
 RamAct Fr= 1--    122.0821                63.7086               193.0066
  Dep-P Fr= 1--      0.1451                 0.4912                 0.1009
  Dep-U Fr= 1--      0.2535                 0.6588                 0.1834
 Alpha2 Fr= 1--      1.9107                 0.3276                 3.3715
 Beta2  Fr= 1--      5.1573                 6.9952                 5.8985
 AlphaG Fr= 1--     -0.4956                 0.3502                -0.3077
 Gamma2 Fr= 1--     -3.8857                21.0897               -18.7389
 Delta2 Fr= 1--      0.2335                 7.7701                -6.9353
 Raman1 Fr= 1--     488.328                254.835                772.026
 ROA1   Fr= 1--    -365.552               2273.258              -2020.869
 CID1   Fr= 1--      -0.749                  8.921                 -2.618
 Raman2 Fr= 1--      61.888                 83.942                 70.782
 ROA2   Fr= 1--     -95.124                443.993               -394.252
 CID2   Fr= 1--      -1.537                  5.289                 -5.570
 Raman3 Fr= 1--     123.776                167.884                141.564
 ROA3   Fr= 1--    -365.552               2273.258              -2020.869
 CID3   Fr= 1--      -2.953                 13.541                -14.275
 RC180  Fr= 1--      -0.493                  0.318                 -0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.05  -0.00  -0.02    -0.03  -0.00  -0.01
     8   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00     0.01   0.03  -0.01    -0.02  -0.05   0.02
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   8     0.04  -0.05  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.01  -0.00   0.00     0.83   0.09   0.29     0.44   0.05   0.15
    18   1     0.00   0.00  -0.00    -0.18  -0.41   0.14     0.33   0.77  -0.27
    19   1    -0.66   0.72   0.19     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    20   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
    24   1    -0.04  -0.07   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1549.139602284.376163664.39194
           X            0.99994   0.01109   0.00228
           Y           -0.01108   0.99993  -0.00321
           Z           -0.00231   0.00318   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05591     0.03792     0.02364
 Rotational constants (GHZ):           1.16500     0.79004     0.49251
 Zero-point vibrational energy     514177.8 (Joules/Mol)
                                  122.89144 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     99.89   141.00   160.77   208.57   263.49
          (Kelvin)            282.08   342.57   401.39   415.87   444.84
                              454.03   468.31   490.40   535.34   560.48
                              568.69   606.81   640.24   704.21   823.06
                              863.87   909.26   918.68  1276.87  1427.97
                             1459.82  1461.12  1498.38  1519.68  1545.72
                             1555.01  1570.34  1582.37  1588.13  1629.41
                             1669.55  1731.05  1771.82  1777.97  1804.94
                             1823.13  1897.52  1905.03  1937.13  1962.70
                             1972.77  1990.87  2010.77  2039.20  2051.37
                             2064.75  2070.73  2080.63  2151.75  4303.30
                             4304.74  4311.14  4324.15  4334.69  4355.07
                             4487.89  5387.24  5421.41  5423.64  5447.65
                             5449.44
 
 Zero-point correction=                           0.195840 (Hartree/Particle)
 Thermal correction to Energy=                    0.208627
 Thermal correction to Enthalpy=                  0.209571
 Thermal correction to Gibbs Free Energy=         0.157719
 Sum of electronic and zero-point Energies=           -687.328624
 Sum of electronic and thermal Energies=              -687.315837
 Sum of electronic and thermal Enthalpies=            -687.314893
 Sum of electronic and thermal Free Energies=         -687.366745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.916             48.277            109.132
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.940
 Vibrational            129.138             42.315             36.722
 Vibration     1          0.598              1.969              4.169
 Vibration     2          0.603              1.951              3.494
 Vibration     3          0.607              1.940              3.238
 Vibration     4          0.616              1.908              2.737
 Vibration     5          0.631              1.863              2.296
 Vibration     6          0.636              1.845              2.170
 Vibration     7          0.656              1.782              1.817
 Vibration     8          0.679              1.712              1.540
 Vibration     9          0.686              1.694              1.480
 Vibration    10          0.699              1.656              1.367
 Vibration    11          0.703              1.644              1.333
 Vibration    12          0.710              1.625              1.282
 Vibration    13          0.720              1.594              1.208
 Vibration    14          0.744              1.529              1.071
 Vibration    15          0.757              1.493              1.002
 Vibration    16          0.762              1.480              0.980
 Vibration    17          0.784              1.423              0.886
 Vibration    18          0.804              1.372              0.811
 Vibration    19          0.845              1.273              0.685
 Vibration    20          0.928              1.092              0.500
 Vibration    21          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.284644D-72        -72.545698       -167.042643
 Total V=0       0.342259D+18         17.534354         40.374343
 Vib (Bot)       0.232506D-86        -86.633566       -199.481157
 Vib (Bot)    1  0.297080D+01          0.472874          1.088832
 Vib (Bot)    2  0.209498D+01          0.321181          0.739546
 Vib (Bot)    3  0.183218D+01          0.262969          0.605508
 Vib (Bot)    4  0.140075D+01          0.146361          0.337008
 Vib (Bot)    5  0.109555D+01          0.039632          0.091255
 Vib (Bot)    6  0.101854D+01          0.007978          0.018369
 Vib (Bot)    7  0.824231D+00         -0.083951         -0.193304
 Vib (Bot)    8  0.689521D+00         -0.161453         -0.371758
 Vib (Bot)    9  0.661955D+00         -0.179171         -0.412557
 Vib (Bot)   10  0.611879D+00         -0.213334         -0.491221
 Vib (Bot)   11  0.597266D+00         -0.223832         -0.515393
 Vib (Bot)   12  0.575626D+00         -0.239860         -0.552298
 Vib (Bot)   13  0.544491D+00         -0.264009         -0.607903
 Vib (Bot)   14  0.488600D+00         -0.311047         -0.716212
 Vib (Bot)   15  0.461013D+00         -0.336287         -0.774330
 Vib (Bot)   16  0.452489D+00         -0.344392         -0.792991
 Vib (Bot)   17  0.415772D+00         -0.381145         -0.877618
 Vib (Bot)   18  0.386938D+00         -0.412359         -0.949492
 Vib (Bot)   19  0.338919D+00         -0.469904         -1.081995
 Vib (Bot)   20  0.268495D+00         -0.571064         -1.314924
 Vib (Bot)   21  0.248586D+00         -0.604524         -1.391968
 Vib (V=0)       0.279567D+04          3.446487          7.935829
 Vib (V=0)    1  0.351258D+01          0.545627          1.256352
 Vib (V=0)    2  0.265382D+01          0.423872          0.976002
 Vib (V=0)    3  0.239918D+01          0.380063          0.875128
 Vib (V=0)    4  0.198731D+01          0.298266          0.686783
 Vib (V=0)    5  0.170425D+01          0.231534          0.533127
 Vib (V=0)    6  0.163465D+01          0.213424          0.491426
 Vib (V=0)    7  0.146403D+01          0.165550          0.381194
 Vib (V=0)    8  0.135173D+01          0.130889          0.301383
 Vib (V=0)    9  0.132957D+01          0.123711          0.284855
 Vib (V=0)   10  0.129019D+01          0.110653          0.254787
 Vib (V=0)   11  0.127893D+01          0.106846          0.246021
 Vib (V=0)   12  0.126246D+01          0.101218          0.233062
 Vib (V=0)   13  0.123924D+01          0.093154          0.214496
 Vib (V=0)   14  0.119909D+01          0.078852          0.181565
 Vib (V=0)   15  0.118010D+01          0.071918          0.165597
 Vib (V=0)   16  0.117435D+01          0.069797          0.160714
 Vib (V=0)   17  0.115028D+01          0.060804          0.140007
 Vib (V=0)   18  0.113223D+01          0.053936          0.124193
 Vib (V=0)   19  0.110404D+01          0.042985          0.098977
 Vib (V=0)   20  0.106753D+01          0.028380          0.065347
 Vib (V=0)   21  0.105839D+01          0.024644          0.056745
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128907D+07          6.110276         14.069430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                  3333222                                     11111111111111111111111111111                                  
   77777                  1000999                                     444444333333322222111100000009   8    666544433333332221111    
   88764                  1210999                                     943321987642165330630098754119   8    33078429974210873984196  
   86084                  9735621                                     669567841464974613024011461652   7    92029525021569998635289  
 
   XXXXX                  XXXXXXX                                     XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                   XX                                          XX X     X XX  XXX XX XXXXXXX   X     X X   XXXXXXXXXXX       
   XXXXX                   XX                                           X X     X XX    X XX XXXX XX   X       X   XXXXXXXXXXX       
   X XXX                   XX                                                      X      XX XXXX  X   X            XX XXX  XX       
   X X                     XX                                                             XX XXXX  X   X            XX XXX   X       
   X                       XX                                                             XX XXXX  X                XX XXX           
   X                       XX                                                              X XXXX  X                 X X X           
                           XX                                                              X XXXX  X                 X   X           
                            X                                                              X XXXX                    X   X           
                            X                                                              X  XXX                    X   X           
                            X                                                                 XXX                    X               
                            X                                                                 X X                    X               
                            X                                                                 X X                    X               
                                                                                              X X                                    
                                                                                              X X                                    
                                                                                                X                                    
                                                                                                X                                    
                                                                                                X                                    
                                                                                                X                                    
                                                                                                X                                    
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002641    0.000000886   -0.000001485
      2        6          -0.000000878    0.000003407   -0.000001744
      3        6           0.000000830   -0.000000357   -0.000001812
      4        6           0.000001106   -0.000002205    0.000001319
      5        8          -0.000002430   -0.000001078    0.000001980
      6        6          -0.000002325    0.000000301    0.000003918
      7        8           0.000003160    0.000003839   -0.000003699
      8        1           0.000002035   -0.000000228   -0.000002328
      9        8          -0.000000819    0.000002989   -0.000000008
     10        1          -0.000001366    0.000004343    0.000000769
     11        1           0.000001093    0.000001631   -0.000001511
     12        8           0.000004790   -0.000001993   -0.000004640
     13        6          -0.000001191   -0.000003210    0.000002284
     14        1           0.000000778   -0.000004058    0.000000057
     15        8          -0.000004517    0.000002130    0.000003058
     16        1          -0.000001978   -0.000001313    0.000001215
     17        1           0.000003065    0.000004489   -0.000004375
     18        1          -0.000002131    0.000006114    0.000000424
     19        1           0.000004832   -0.000000151   -0.000003936
     20        8          -0.000000869   -0.000006980    0.000002508
     21        1          -0.000000339   -0.000002357    0.000000121
     22        1           0.000001972   -0.000005115   -0.000000438
     23        1          -0.000004813    0.000003464    0.000004167
     24        1          -0.000002646   -0.000004549    0.000004156
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000006980 RMS     0.000002879
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124757D+03  0.175015D+01 -0.573271D-03
      2   0.175015D+01  0.119643D+03 -0.302146D+00
      3  -0.573271D-03 -0.302146D+00  0.997032D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.302933D+00 -0.364920D+01 -0.358753D+01
      2  -0.284242D+01  0.167742D+01  0.759262D+01
      3   0.120719D+02 -0.137717D+02 -0.306936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.322453D+02 -0.188580D+02 -0.879808D+01
      2  -0.268853D+02  0.205035D+02  0.556178D+01
      3  -0.536007D+01 -0.164554D+01  0.323629D+01
      4  -0.220628D+00 -0.712062D+01  0.165278D+01
      5  -0.491650D+01  0.174593D+01  0.127104D+02
      6  -0.422978D+01  0.611870D+01  0.566506D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.299787D+01 -0.291360D+01 -0.133978D+01 -0.335176D+01  0.347093D+01
      2  -0.291360D+01  0.421391D+01  0.335499D+00  0.347093D+01  0.430866D+00
      3  -0.133978D+01  0.335499D+00 -0.125001D+01  0.468889D+00 -0.122378D+01
                 6             7             8             9            10 
      1   0.468889D+00 -0.175807D+01  0.930264D+00  0.169353D+00  0.462958D+01
      2  -0.122378D+01  0.930264D+00 -0.211662D+01 -0.984693D+00  0.239917D+01
      3   0.723851D+00  0.169353D+00 -0.984693D+00  0.118976D+02  0.180017D+01
                11            12            13            14            15 
      1   0.239917D+01  0.180017D+01  0.240873D+01 -0.317241D+01 -0.206792D+00
      2  -0.221747D+01  0.789755D-01 -0.317241D+01 -0.191970D+01  0.735923D+00
      3   0.789755D-01 -0.206783D+01 -0.206792D+00  0.735923D+00  0.721206D+00
                16            17            18            19            20 
      1   0.333328D+01 -0.280310D+00  0.512854D+00  0.262325D+01  0.263295D+01
      2  -0.280310D+00  0.778458D+00  0.727895D+00  0.263295D+01 -0.345417D+01
      3   0.512854D+00  0.727895D+00 -0.119127D+02  0.109504D+01  0.197239D+00
                21            22            23            24            25 
      1   0.109504D+01  0.211457D+01 -0.456163D+01 -0.493120D-01  0.153031D+01
      2   0.197239D+00 -0.456163D+01 -0.273664D+01  0.153423D+01  0.567006D+00
      3   0.446776D+00 -0.493120D-01  0.153423D+01  0.186023D+01 -0.362578D+00
                26            27            28            29            30 
      1   0.567006D+00 -0.362578D+00 -0.236173D+01 -0.336604D+00 -0.121116D+01
      2   0.282566D+01  0.269521D+00 -0.336604D+00  0.393003D+01 -0.382433D+00
      3   0.269521D+00 -0.119304D+02 -0.121116D+01 -0.382433D+00 -0.561932D+00
                31            32            33            34            35 
      1   0.526456D+00  0.521740D+01  0.773635D+00 -0.189589D+01  0.183319D+00
      2   0.521740D+01  0.284137D+01 -0.127582D+01  0.183319D+00 -0.204351D+01
      3   0.773635D+00 -0.127582D+01 -0.120196D+01 -0.574721D+00  0.197553D+00
                36            37            38            39            40 
      1  -0.574721D+00  0.762152D+01 -0.312012D-01  0.902241D+00 -0.153700D+01
      2   0.197553D+00 -0.312012D-01 -0.158973D+00 -0.810943D+00 -0.833889D+00
      3   0.124357D+02  0.902241D+00 -0.810943D+00 -0.299714D+00 -0.468721D+00
                41            42            43            44            45 
      1  -0.833889D+00 -0.468721D+00  0.371360D+01  0.804704D+00  0.627356D+00
      2  -0.521236D+01  0.864617D+00  0.804704D+00  0.243286D+01 -0.786225D+00
      3   0.864617D+00  0.100702D+01  0.627356D+00 -0.786225D+00 -0.221722D+01
                46            47            48            49            50 
      1  -0.478395D+01 -0.384829D+01 -0.797223D+00 -0.219715D+01  0.251574D+01
      2  -0.384829D+01  0.105425D+01  0.111293D+01  0.251574D+01  0.160649D+01
      3  -0.797223D+00  0.111293D+01  0.303120D+00  0.146966D+00 -0.199963D+00
                51            52            53            54            55 
      1   0.146966D+00 -0.295327D+01  0.897682D-01  0.592184D-03  0.389040D+01
      2  -0.199963D+00  0.897682D-01 -0.187366D+01  0.607575D+00  0.222954D+01
      3  -0.326672D+01  0.592184D-03  0.607575D+00  0.117380D+02  0.206439D+01
                56            57            58            59            60 
      1   0.222954D+01  0.206439D+01  0.343090D+01 -0.344623D+01 -0.288963D+00
      2  -0.165751D+01 -0.143253D+00 -0.344623D+01  0.779788D+01  0.137409D+01
      3  -0.143253D+00  0.159033D+01 -0.288963D+00  0.137409D+01 -0.267829D+00
                61            62            63            64            65 
      1   0.405874D+01 -0.147654D+01 -0.803944D+00  0.541204D+00  0.414880D+00
      2  -0.147654D+01  0.291993D+01  0.175566D+01  0.414880D+00 -0.743102D+00
      3  -0.803944D+00  0.175566D+01  0.107546D+00 -0.102395D+01  0.560208D-01
                66            67            68            69            70 
      1  -0.102395D+01  0.582992D+00 -0.617780D+00  0.933078D-01 -0.222732D+01
      2   0.560208D-01 -0.617780D+00  0.629340D-01 -0.114696D+01  0.135137D+00
      3   0.352003D-01  0.933078D-01 -0.114696D+01  0.506528D+00 -0.545198D+00
                71            72            73            74            75 
      1   0.135137D+00 -0.545198D+00 -0.889709D+01  0.292116D+00 -0.167038D+01
      2  -0.209391D+01  0.934804D+00  0.292116D+00  0.128792D+01 -0.561541D+00
      3   0.934804D+00 -0.978985D+01 -0.167038D+01 -0.561541D+00  0.131008D+01
                76            77            78            79            80 
      1   0.351226D+01  0.123921D+01 -0.262078D+00 -0.438973D+01 -0.126432D+01
      2   0.123921D+01  0.450705D+01 -0.161355D+01 -0.126432D+01 -0.238231D+01
      3  -0.262078D+00 -0.161355D+01  0.140295D+01 -0.176631D+01 -0.120081D+00
                81            82            83            84            85 
      1  -0.176631D+01 -0.871041D+00 -0.384950D+00  0.110475D+01 -0.470237D+00
      2  -0.120081D+00 -0.384950D+00  0.522845D+00  0.293997D-01  0.452651D+00
      3  -0.209684D+00  0.110475D+01  0.293997D-01 -0.685839D-01  0.469525D-01
                86            87            88            89            90 
      1   0.452651D+00  0.469525D-01  0.208117D+01  0.206569D+00 -0.786321D+00
      2   0.911660D-01  0.121510D+01  0.206569D+00  0.211125D+01 -0.628146D+00
      3   0.121510D+01 -0.634537D+00 -0.786321D+00 -0.628146D+00  0.980108D+01
                91            92            93            94            95 
      1  -0.154984D+00 -0.535237D+00  0.109541D+01 -0.337725D+00  0.718921D+00
      2  -0.535237D+00  0.654355D+00  0.599985D-01  0.718921D+00  0.537535D+00
      3   0.109541D+01  0.599985D-01  0.160246D+00  0.999121D-01  0.112996D+01
                96            97            98            99           100 
      1   0.999121D-01  0.215221D+01 -0.991536D-01  0.426730D+00  0.477935D+01
      2   0.112996D+01 -0.991536D-01  0.214460D+01  0.556432D+00  0.814196D+00
      3   0.306636D-01  0.426730D+00  0.556432D+00  0.100531D+02 -0.118197D+01
               101           102           103           104           105 
      1   0.814196D+00 -0.118197D+01 -0.436110D+00  0.506003D+01  0.168340D+00
      2   0.679523D+01 -0.904751D-02  0.506003D+01  0.331711D+01 -0.120731D+01
      3  -0.904751D-02  0.516755D+00  0.168340D+00 -0.120731D+01 -0.163623D+01
               106           107           108           109           110 
      1  -0.154074D+01 -0.385563D+00  0.983992D+00  0.282325D+01  0.417789D+00
      2  -0.385563D+00 -0.333134D+01  0.142663D+01  0.417789D+00 -0.315061D+01
      3   0.983992D+00  0.142663D+01  0.143259D+00  0.216835D+01  0.525080D+00
               111           112           113           114           115 
      1   0.216835D+01  0.859508D+00 -0.568421D+01  0.793141D-01  0.308875D+01
      2   0.525080D+00 -0.568421D+01 -0.365432D+01  0.173953D+01 -0.189859D+00
      3   0.180304D+01  0.793141D-01  0.173953D+01 -0.839781D+00 -0.115617D+01
               116           117           118           119           120 
      1  -0.189859D+00 -0.115617D+01  0.120279D+01  0.274687D+00 -0.120788D+01
      2   0.209545D+01 -0.183143D+01  0.274687D+00 -0.434036D+00  0.872859D-01
      3  -0.183143D+01 -0.103495D+02 -0.120788D+01  0.872859D-01  0.858084D+00
               121           122           123           124           125 
      1   0.224408D+00 -0.516806D+00 -0.352959D+00 -0.255797D+01 -0.283082D+00
      2  -0.516806D+00 -0.251612D-01 -0.118590D+01 -0.283082D+00 -0.196702D+01
      3  -0.352959D+00 -0.118590D+01  0.198931D+00  0.136956D+01  0.302076D+00
               126           127           128           129           130 
      1   0.136956D+01 -0.110857D+01 -0.171635D+01  0.259869D+00 -0.179616D+01
      2   0.302076D+00 -0.171635D+01 -0.875594D+00 -0.237794D+00 -0.156675D+01
      3  -0.100304D+02  0.259869D+00 -0.237794D+00  0.830768D+00 -0.307720D+00
               131           132           133           134           135 
      1  -0.156675D+01 -0.307720D+00 -0.261031D+00 -0.339740D+00  0.513741D+00
      2  -0.101445D+02 -0.314574D+00 -0.339740D+00 -0.207619D+01  0.729214D+00
      3  -0.314574D+00  0.161964D+01  0.513741D+00  0.729214D+00 -0.727746D+01
               136           137           138           139           140 
      1   0.338906D+00  0.150121D+00 -0.128445D+01  0.149904D+00 -0.523700D+00
      2   0.150121D+00 -0.262951D+00 -0.219655D+00 -0.523700D+00 -0.113825D+01
      3  -0.128445D+01 -0.219655D+00 -0.294105D-01  0.197212D-01 -0.115609D+01
               141           142           143           144           145 
      1   0.197212D-01 -0.214894D+01 -0.563596D+00 -0.495004D+00 -0.100332D+02
      2  -0.115609D+01 -0.563596D+00 -0.217964D+01 -0.190072D+01  0.214764D+01
      3  -0.317516D+00 -0.495004D+00 -0.190072D+01 -0.100010D+02 -0.876781D+00
               146           147           148           149           150 
      1   0.214764D+01 -0.876781D+00  0.366937D+00 -0.703924D+00 -0.423642D-01
      2  -0.250313D+01 -0.613750D-01 -0.703924D+00  0.312500D+00 -0.231288D+00
      3  -0.613750D-01 -0.184300D+01 -0.423642D-01 -0.231288D+00  0.278696D+00
               151           152           153           154           155 
      1  -0.247022D+01  0.433981D+00 -0.995239D+00 -0.370259D+01 -0.257248D+01
      2   0.433981D+00 -0.748297D+00  0.332653D+00 -0.257248D+01 -0.301330D+01
      3  -0.995239D+00  0.332653D+00 -0.255103D+00  0.292157D+00  0.230492D+00
               156           157           158           159           160 
      1   0.292157D+00 -0.505584D+01 -0.365052D+01  0.211855D+00  0.147386D+01
      2   0.230492D+00 -0.365052D+01 -0.591784D+01  0.711398D+00  0.984863D+00
      3  -0.105822D+01  0.211855D+00  0.711398D+00 -0.144627D+01 -0.758068D+00
               161           162           163           164           165 
      1   0.984863D+00 -0.758068D+00 -0.245683D+01  0.154274D+01  0.337075D+00
      2   0.157471D+01 -0.671377D+00  0.154274D+01 -0.459674D+01 -0.530759D-01
      3  -0.671377D+00  0.232446D+00  0.337075D+00 -0.530759D-01 -0.683739D+00
               166           167           168           169           170 
      1   0.228681D+01 -0.171085D+01 -0.185501D+00  0.531076D+00 -0.277081D+00
      2  -0.171085D+01  0.797982D+01  0.203010D+00 -0.277081D+00  0.104581D+01
      3  -0.185501D+00  0.203010D+00  0.155224D+01 -0.132627D+00  0.733075D+00
               171           172           173           174           175 
      1  -0.132627D+00  0.891551D+01 -0.282089D+01 -0.155263D+01 -0.119133D+01
      2   0.733075D+00 -0.282089D+01  0.404108D+01 -0.154406D+00  0.439227D+01
      3  -0.823307D-01 -0.155263D+01 -0.154406D+00  0.146773D+00 -0.102861D-01
               176           177           178           179           180 
      1   0.439227D+01 -0.102861D-01 -0.290061D+01  0.790457D+00  0.203911D+01
      2   0.219075D+01 -0.937216D+00  0.790457D+00 -0.190514D+01 -0.722465D+00
      3  -0.937216D+00  0.140983D+01  0.203911D+01 -0.722465D+00 -0.486877D+00
               181           182           183           184           185 
      1  -0.473742D+00  0.330164D+00  0.114157D+01 -0.356734D+00  0.855466D+00
      2   0.330164D+00  0.338055D+00 -0.143945D+00  0.855466D+00  0.531483D+00
      3   0.114157D+01 -0.143945D+00 -0.425392D+00 -0.181401D-01  0.103270D+01
               186           187           188           189           190 
      1  -0.181401D-01  0.263591D+01 -0.212147D+00  0.157898D+01  0.305602D+01
      2   0.103270D+01 -0.212147D+00  0.181732D+01  0.140843D+01  0.250502D+01
      3  -0.170672D+00  0.157898D+01  0.140843D+01  0.104596D+02 -0.863956D+00
               191           192           193           194           195 
      1   0.250502D+01 -0.863956D+00  0.382424D+01  0.333055D+01 -0.286987D+00
      2   0.269213D+01 -0.286154D+00  0.333055D+01  0.685150D+01 -0.107034D+01
      3  -0.286154D+00  0.695909D+00 -0.286987D+00 -0.107034D+01  0.110571D+01
               196           197           198           199           200 
      1  -0.195136D+01 -0.533834D+00  0.992442D+00 -0.407200D+00 -0.469525D+00
      2  -0.533834D+00 -0.198527D+01  0.119008D+01 -0.469525D+00 -0.456286D+00
      3   0.992442D+00  0.119008D+01 -0.121133D+00  0.506691D+00  0.239281D+00
               201           202           203           204           205 
      1   0.506691D+00 -0.525308D+00 -0.206912D+00  0.123918D+00  0.179952D+01
      2   0.239281D+00 -0.206912D+00 -0.129441D+01  0.723758D+00  0.629493D+00
      3  -0.390015D+00  0.123918D+00  0.723758D+00 -0.860898D+00 -0.947221D+00
               206           207           208           209           210 
      1   0.629493D+00 -0.947221D+00 -0.217302D+01 -0.521877D+00  0.242447D+00
      2   0.386937D+01 -0.296783D+01 -0.521877D+00 -0.200594D+01  0.111420D+00
      3  -0.296783D+01  0.769945D+01  0.242447D+00  0.111420D+00 -0.192327D-01
               211           212           213           214           215 
      1  -0.303236D+01 -0.575495D-01  0.247011D+00  0.656709D+00  0.149663D+00
      2  -0.575495D-01 -0.701524D+01  0.298486D+00  0.149663D+00  0.108748D+01
      3   0.247011D+00  0.298486D+00 -0.177508D+01  0.108691D+00 -0.558624D+00
               216 
      1   0.108691D+00
      2  -0.558624D+00
      3   0.959299D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.149125D+01  0.212916D+00 -0.125938D+01 -0.205287D+01  0.556287D+00
      2   0.181654D+01 -0.564705D+00  0.214877D+00 -0.324467D+00  0.258378D+01
      3  -0.375724D+01 -0.149456D+01 -0.130541D+01  0.323907D+01  0.256775D+01
                 6             7             8             9            10 
      1   0.275690D+00 -0.196337D+00  0.452428D+01 -0.941173D+01  0.102366D+01
      2   0.984387D+00 -0.296029D+01  0.667023D+00 -0.107411D+02 -0.255579D+01
      3  -0.180138D+00  0.311158D+00 -0.199858D+01 -0.864580D+00  0.727463D+00
                11            12            13            14            15 
      1  -0.991143D+00 -0.293143D+00  0.486092D+00 -0.141927D+01 -0.108910D+01
      2  -0.174812D+01  0.675565D+00 -0.240599D+00 -0.265080D+01 -0.240166D+01
      3  -0.620926D+01 -0.762039D+00 -0.780333D+00 -0.849908D+00  0.229849D+01
                16            17            18            19            20 
      1  -0.574769D+00  0.267295D+01 -0.558064D+01 -0.100877D+01 -0.431990D+00
      2  -0.420423D+01 -0.149532D+01  0.141464D+02 -0.126233D+01  0.437071D+00
      3  -0.226118D+01  0.170958D+01  0.877647D+00  0.161059D+01  0.858780D+00
                21            22            23            24            25 
      1   0.121613D+01 -0.334954D+00 -0.250814D+01  0.286842D+00  0.157648D+01
      2   0.140061D+01 -0.117670D+01  0.400624D+00 -0.463564D+00 -0.339801D+01
      3   0.143305D+01  0.665493D+01 -0.522452D+01 -0.160735D+01  0.155628D+01
                26            27            28            29            30 
      1   0.290236D+01  0.113857D+02  0.958104D+00 -0.352336D+00  0.189854D+01
      2  -0.278269D+00 -0.268394D+01 -0.242767D+01 -0.604189D+00 -0.633825D+00
      3   0.528960D+00 -0.740496D+00 -0.593143D+01 -0.101833D+02 -0.428235D+00
                31            32            33            34            35 
      1  -0.114812D+01  0.175637D+01  0.276902D+01  0.190592D+01  0.304281D+01
      2  -0.111904D+01 -0.174837D+01 -0.294584D+01 -0.469231D+01  0.226752D+01
      3  -0.832520D+01 -0.249751D+01  0.245014D+01  0.573341D-02  0.127334D+01
                36            37            38            39            40 
      1  -0.474876D+01  0.121229D+01  0.245024D+00 -0.375603D+01  0.871238D+00
      2   0.190472D+02  0.973313D+00  0.596670D+00  0.111333D+02  0.271491D+00
      3  -0.594248D+00 -0.101358D+02 -0.863936D+01 -0.111800D+01  0.133505D+02
                41            42            43            44            45 
      1   0.502721D+00 -0.777159D+01  0.285536D+01  0.539909D+01 -0.146501D-01
      2   0.135457D+01  0.325217D+01 -0.673184D+01 -0.274347D+01  0.835413D+00
      3   0.578714D+01 -0.918962D+00 -0.438446D+01 -0.264299D+01 -0.449704D+00
                46            47            48            49            50 
      1  -0.765772D+00  0.212837D+00  0.250357D+01 -0.195782D+00 -0.869594D+00
      2   0.127403D+01  0.976028D-01 -0.707678D+01 -0.689925D+00  0.129468D+01
      3   0.373423D+01  0.719608D+01  0.152615D+01  0.419061D+01  0.215106D+01
                51            52            53            54            55 
      1  -0.115460D+01 -0.163127D+01  0.303194D+01  0.153233D+02 -0.429645D+01
      2  -0.146878D+00 -0.382103D+01 -0.229983D+01 -0.115862D+02 -0.781460D+01
      3  -0.180776D+01  0.389757D+01 -0.157472D+01  0.534465D+00  0.155388D+02
                56            57            58            59            60 
      1   0.620676D-01  0.674841D-01  0.158728D+01 -0.234640D+01 -0.654803D+01
      2   0.230529D+01  0.153478D+01  0.596872D+00 -0.219398D+01 -0.275928D+01
      3  -0.278859D+01  0.332659D+01  0.843422D+01  0.946406D+01  0.110727D+01
                61            62            63            64            65 
      1   0.329923D+00  0.146424D+01 -0.260152D+01  0.711238D+00 -0.368980D-01
      2  -0.499334D+01 -0.171262D+01 -0.269696D+01  0.153307D+01 -0.194056D+00
      3   0.699684D+01  0.420343D+01  0.173445D+01  0.877229D+00 -0.150839D+01
                66            67            68            69            70 
      1  -0.519779D+00 -0.282824D-01  0.138181D+01 -0.113217D+01 -0.185744D-02
      2   0.105904D+01 -0.300288D-01  0.797260D+00  0.840183D-01 -0.438871D+01
      3  -0.815706D+00  0.113752D+01 -0.486086D+00 -0.113355D+01 -0.238963D+01
                71            72            73            74            75 
      1   0.410770D+01  0.905000D+01 -0.228415D+01 -0.105039D+01  0.980966D-01
      2  -0.563033D+00  0.105238D+02  0.521745D+01  0.327523D+01  0.648048D+01
      3  -0.215652D+01  0.711601D+00  0.924761D+01 -0.347105D+01 -0.483009D+00
                76            77            78            79            80 
      1  -0.320646D+01 -0.286800D+01 -0.117964D+01  0.744740D+00  0.500810D+01
      2   0.248272D+01  0.560000D+01 -0.310207D+01 -0.108382D+01 -0.961076D+00
      3   0.653589D+01  0.175141D+02 -0.358913D+01  0.566186D+00 -0.807825D+01
                81            82            83            84            85 
      1  -0.980879D+00  0.324758D+00  0.416712D+00  0.496264D+00  0.604130D+00
      2   0.371078D+01 -0.172781D+01  0.452518D-01  0.737590D+00  0.364970D+00
      3   0.112078D+01 -0.781636D-02 -0.246765D+00 -0.308475D+00  0.191566D+01
                86            87            88            89            90 
      1   0.687667D+00 -0.198693D+01 -0.131345D-01  0.464574D+01  0.382580D+01
      2  -0.180125D+01  0.479275D+00 -0.375705D+01  0.733064D+00 -0.143118D+02
      3   0.284209D+00  0.140008D+01 -0.728544D+00  0.331919D+01 -0.321149D-01
                91            92            93            94            95 
      1  -0.167975D+01  0.147655D+00  0.133385D+00 -0.114804D+00 -0.133731D+01
      2   0.384449D+00  0.642067D+00  0.906746D+00  0.592244D+00  0.220351D+00
      3   0.894061D-01 -0.187425D+01  0.129959D+01  0.612666D+00  0.517155D+00
                96            97            98            99           100 
      1  -0.809046D+00 -0.563576D+00  0.417084D+01 -0.116373D+02  0.283834D+01
      2  -0.332911D+00 -0.532505D+01  0.201777D+00  0.234265D+01  0.196597D-01
      3  -0.160429D+00  0.279753D+01 -0.106282D+01  0.191597D+00  0.152883D+02
               101           102           103           104           105 
      1  -0.114482D+01 -0.428198D+01 -0.878591D+00  0.545052D+01 -0.456106D+01
      2  -0.162184D+01  0.404103D+01  0.598700D+00  0.496477D+00  0.177647D+01
      3  -0.116343D+02 -0.217671D+01 -0.610910D+00  0.977547D+01  0.154932D+01
               106           107           108           109           110 
      1  -0.250500D+01  0.230971D+01  0.248694D+01 -0.204986D+01 -0.157063D+01
      2  -0.303862D+01  0.122309D+01 -0.597346D+00  0.479379D+01  0.151897D+01
      3  -0.524269D+01  0.173431D+01  0.108791D+01  0.344593D+01  0.807799D+01
               111           112           113           114           115 
      1  -0.292425D+01 -0.307207D+01 -0.380759D+01  0.126171D+01  0.323454D+00
      2   0.227778D+01  0.220574D+01  0.639774D+01  0.522355D+00 -0.756097D+01
      3  -0.766814D+00  0.181901D+02  0.614963D+01 -0.475022D+01  0.769141D+00
               116           117           118           119           120 
      1   0.227317D+01  0.589193D+01  0.380968D+00  0.517523D+00  0.419937D+00
      2  -0.472328D+01 -0.251259D+02 -0.135916D+01  0.273970D+00  0.241904D+01
      3  -0.604691D+01  0.458439D+01 -0.127768D+00  0.234798D+00 -0.549348D+00
               121           122           123           124           125 
      1   0.208023D+00  0.113073D+00 -0.929463D+00 -0.136345D+00  0.465113D+01
      2  -0.533594D+00 -0.189228D+01  0.383235D+00 -0.404221D+01  0.534994D-01
      3   0.288876D+01 -0.785382D+00  0.179070D+01 -0.282711D+00  0.346180D+01
               126           127           128           129           130 
      1   0.298394D+01  0.333664D+00 -0.923645D+00  0.121501D+01 -0.241977D+00
      2  -0.138445D+02 -0.393666D+00 -0.141974D+01  0.479752D+01  0.749749D+00
      3  -0.125617D+01  0.191542D+01 -0.263112D+01  0.404857D+00  0.110821D+02
               131           132           133           134           135 
      1   0.106648D+00 -0.550172D+01  0.295646D+01  0.636125D+01 -0.205042D+02
      2   0.805149D-02  0.359456D+00 -0.112629D+01 -0.797950D+00  0.615625D+01
      3  -0.596801D+01  0.504906D+00  0.343185D-01  0.148047D+00 -0.923248D+00
               136           137           138           139           140 
      1  -0.224170D+01 -0.301826D+00 -0.339975D+00  0.392822D+00 -0.129324D+01
      2   0.101180D+01  0.110139D+00  0.105133D+01  0.707625D+00  0.791904D+00
      3  -0.201559D+00 -0.197969D+01  0.216440D+01  0.226012D+00  0.396480D+00
               141           142           143           144           145 
      1  -0.103263D+01 -0.132389D+00  0.293117D+01 -0.140873D+02  0.275666D+01
      2  -0.359738D-01 -0.466735D+01  0.113561D+01  0.839434D+01  0.624018D+01
      3  -0.702898D+00  0.372895D+01 -0.528076D+00  0.430504D+00 -0.196070D+02
               146           147           148           149           150 
      1  -0.119831D+00  0.344798D+01  0.174394D+00  0.687692D+00 -0.198781D+00
      2  -0.859824D+00  0.569323D+01  0.446047D-01  0.510284D+00 -0.346065D+00
      3  -0.345642D+01 -0.253469D+01 -0.115221D+01 -0.244213D+01 -0.793245D+00
               151           152           153           154           155 
      1   0.208909D+01  0.134185D+00  0.616743D+00  0.130147D+01  0.149394D+01
      2   0.267779D+01 -0.881071D+00  0.119382D+01 -0.197874D+01 -0.170680D+01
      3  -0.539408D+01 -0.143239D+01 -0.151156D+01 -0.542575D+01 -0.764147D+01
               156           157           158           159           160 
      1  -0.145798D+01  0.234735D+01  0.275803D+01 -0.269081D+01 -0.128370D+01
      2   0.314700D+01 -0.244622D+01 -0.412587D+01  0.488215D+01  0.164590D+01
      3   0.541958D+00 -0.550293D+01 -0.187380D+02  0.241467D+01  0.146176D+01
               161           162           163           164           165 
      1  -0.523374D+00  0.740262D+00 -0.180003D+01  0.171178D+01  0.285189D+01
      2   0.252319D+01 -0.948168D+00 -0.275770D+00  0.695144D+00 -0.188535D+00
      3   0.509392D+01 -0.149086D+01 -0.122697D+02  0.846163D+01  0.146305D+01
               166           167           168           169           170 
      1   0.143427D+01 -0.259956D+01 -0.483402D+01  0.685857D+00 -0.143520D+01
      2   0.454560D+00 -0.993036D+00 -0.143191D+00 -0.904551D+00  0.104194D+00
      3   0.102045D+02 -0.123303D+02 -0.812054D+00  0.262812D+01 -0.169473D+01
               171           172           173           174           175 
      1  -0.197537D+00 -0.517399D+00 -0.662093D+00  0.411048D+01  0.395858D+00
      2  -0.224029D+00 -0.519631D+01  0.106614D+01  0.794945D+01 -0.145773D+01
      3  -0.947615D+00  0.208453D+01 -0.214952D+02  0.119260D+00 -0.123448D+02
               176           177           178           179           180 
      1  -0.281366D+01 -0.400645D+01 -0.265675D+00  0.490948D+01 -0.213896D+01
      2  -0.327051D+01  0.117395D+00  0.235367D+01 -0.218874D+01 -0.312133D+01
      3  -0.103480D+02  0.348244D+01  0.502782D+00  0.732437D+01  0.201992D+01
               181           182           183           184           185 
      1  -0.321910D+00  0.111746D+00  0.352971D-01  0.519733D+00 -0.249726D+00
      2   0.410038D+01 -0.791524D+00 -0.326827D+00 -0.168579D+00  0.255239D+01
      3  -0.140403D+01 -0.148476D+01  0.824561D+00 -0.115971D+01 -0.981235D+00
               186           187           188           189           190 
      1  -0.311312D+00 -0.117955D+01  0.404866D+01 -0.465712D+01  0.166415D+01
      2  -0.491684D+00 -0.152508D+01  0.428670D+01  0.273723D+02 -0.281635D+01
      3  -0.252981D+01  0.189598D+01 -0.500071D+01 -0.351724D+01 -0.468965D+01
               191           192           193           194           195 
      1   0.937755D+00 -0.152256D+01  0.136703D+01  0.268237D+01 -0.321255D+01
      2  -0.133999D+01  0.337971D+01 -0.138138D+01 -0.414195D+01  0.401034D+01
      3  -0.750590D+01  0.353523D+00 -0.423868D+01 -0.193867D+02  0.308616D+01
               196           197           198           199           200 
      1  -0.957131D+00 -0.167207D+00  0.538759D+00  0.145925D+01  0.586671D+00
      2   0.198781D+01  0.351160D+01 -0.860677D+00 -0.747677D+00 -0.587934D+00
      3  -0.191211D+00  0.581586D+01 -0.283274D+01  0.533174D+00  0.359940D+00
               201           202           203           204           205 
      1  -0.127281D+01  0.187419D+00  0.279409D+01 -0.217040D+01 -0.320123D+01
      2   0.200970D+00 -0.614685D+00 -0.884625D+00  0.970156D+00 -0.187851D+01
      3  -0.123467D+01  0.101522D+01 -0.541645D+00  0.363573D+00 -0.429971D+01
               206           207           208           209           210 
      1  -0.615329D+01  0.232702D+02  0.509989D+00  0.928973D+00 -0.866197D+00
      2   0.272402D+01 -0.698943D+01  0.119233D+01  0.224141D+00 -0.102234D+01
      3   0.176057D+01  0.130843D+00  0.759194D+01  0.923200D+01 -0.824415D+00
               211           212           213           214           215 
      1   0.697150D+00  0.278628D+01 -0.332468D+01  0.477274D-01 -0.486520D+00
      2   0.111368D+01  0.694582D+00 -0.465229D+01 -0.943095D+00 -0.166075D+01
      3   0.681428D+01  0.268465D+02 -0.146453D+01 -0.197816D+01 -0.415669D+01
               216 
      1   0.297712D+00
      2   0.109138D-01
      3   0.173647D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.712631D+01 -0.209377D+01  0.734416D-01  0.656299D+01 -0.247004D+00
      2  -0.689137D+01  0.127873D+02 -0.182539D+01  0.226499D+01 -0.807841D+01
      3  -0.234941D+00 -0.106935D+02  0.175195D+01 -0.882798D+01  0.832542D+01
      4   0.938554D+01 -0.160970D+02 -0.198708D+01 -0.194244D+02  0.115308D+02
      5   0.487330D+01 -0.228168D+01 -0.387757D+01 -0.484369D+01  0.169166D+01
      6  -0.154417D+01  0.408758D+01  0.390557D+01  0.393007D+01 -0.427839D+01
                 6             7             8             9            10 
      1   0.748135D+00  0.420743D+01  0.395314D+00  0.109362D+02 -0.267915D+02
      2   0.366746D+00  0.138180D+01 -0.768287D+01  0.812724D+01  0.132627D+02
      3  -0.111488D+01 -0.558923D+01  0.728755D+01 -0.190634D+02  0.135288D+02
      4   0.279465D+01 -0.488733D+01  0.832102D+01  0.276086D+01 -0.863769D+01
      5   0.381743D+01 -0.973794D-01  0.314412D+01 -0.262380D+02 -0.919828D+01
      6  -0.716996D+01  0.207538D+01 -0.188345D+01  0.241187D+02 -0.158308D+01
                11            12            13            14            15 
      1  -0.819148D+01 -0.257716D+01 -0.124474D+02  0.875499D+01  0.137721D+01
      2   0.402391D+01  0.520746D+01  0.785671D+01 -0.280208D+01 -0.363143D+00
      3   0.416757D+01 -0.263029D+01  0.459073D+01 -0.595291D+01 -0.101407D+01
      4  -0.474160D+01 -0.121279D+01  0.707342D+01  0.263619D+01 -0.966617D+00
      5  -0.217228D+01 -0.455423D+01 -0.603308D+00 -0.513150D-01 -0.555515D+01
      6  -0.307318D+01 -0.201538D+00 -0.106348D+01 -0.108762D+01 -0.129121D+01
                16            17            18            19            20 
      1  -0.154505D+02 -0.223324D+01  0.974712D+01 -0.106002D+02  0.930149D+01
      2   0.747974D+01 -0.426949D+00  0.903473D+01  0.783927D+01 -0.155229D+02
      3   0.797077D+01  0.266019D+01 -0.187818D+02  0.276096D+01  0.622141D+01
      4  -0.105348D+01 -0.118029D+01 -0.262942D+01  0.113128D+01 -0.412653D+01
      5  -0.228796D+01 -0.325202D+01  0.361762D+02  0.195646D+01  0.164495D+01
      6  -0.539565D+00 -0.843845D+00  0.139238D+02  0.988978D+00  0.189127D+01
                21            22            23            24            25 
      1  -0.967044D+00  0.619423D+01  0.621671D+01 -0.465365D+01 -0.114646D+01
      2  -0.136637D+01 -0.127184D+02 -0.149322D+02  0.764256D+00  0.469109D+01
      3   0.233342D+01  0.652414D+01  0.871549D+01  0.388939D+01 -0.354463D+01
      4   0.123494D+01 -0.837542D+01 -0.139076D+02 -0.424803D+00  0.407597D+01
      5  -0.270826D+01  0.245866D+01  0.164312D+01 -0.141191D+01  0.645103D+00
      6  -0.296068D+01 -0.458699D+00  0.627013D+01 -0.608340D+01 -0.164907D+01
                26            27            28            29            30 
      1  -0.377273D+01  0.998424D+01 -0.119650D+02 -0.174415D+01 -0.530726D+01
      2   0.104174D+02  0.115180D+02  0.464563D+01  0.563426D+00  0.221369D+01
      3  -0.664469D+01 -0.215023D+02  0.731937D+01  0.118073D+01  0.309357D+01
      4   0.400939D+01 -0.881551D+00 -0.924202D+01 -0.102752D+01 -0.273907D+01
      5  -0.443900D+00 -0.665677D+01 -0.618101D+01 -0.159264D+01 -0.722620D+01
      6   0.774727D+00 -0.291264D+02 -0.304123D+01  0.604449D-01 -0.400780D+01
                31            32            33            34            35 
      1  -0.604147D+00  0.203704D+02 -0.136645D+00 -0.444043D+01 -0.321839D+00
      2   0.171971D+01 -0.204938D+02 -0.362035D+01 -0.174645D+01 -0.266047D+01
      3  -0.111556D+01  0.123383D+00  0.375699D+01  0.618688D+01  0.298231D+01
      4  -0.631864D+01  0.813889D+00 -0.286972D+01  0.156324D+01 -0.148280D+01
      5   0.252801D+01 -0.214929D+01 -0.804219D+01 -0.372309D+01  0.761607D+00
      6  -0.250591D+00  0.882361D+00 -0.882487D+01 -0.196680D+01 -0.946042D+00
                36            37            38            39            40 
      1   0.102703D+02  0.220903D+02 -0.319805D+01 -0.111131D+01 -0.716579D+00
      2   0.108300D+02 -0.155234D+02  0.308033D+01 -0.132349D+01 -0.827760D-02
      3  -0.211003D+02 -0.656692D+01  0.117724D+00  0.243480D+01  0.724856D+00
      4   0.129601D+01 -0.789726D+01  0.152641D+02 -0.162380D+01  0.161227D+02
      5   0.378347D+02  0.227345D+01  0.532395D-01  0.204607D+02 -0.211975D+01
      6   0.614847D+01 -0.714062D+00  0.285892D+01  0.890637D+01  0.409841D+00
                41            42            43            44            45 
      1  -0.155771D+02  0.358038D+01  0.653212D+01  0.454314D+01 -0.776395D+01
      2   0.219266D+02  0.213174D+00 -0.646694D+01 -0.460335D+01 -0.604911D+01
      3  -0.634947D+01 -0.379355D+01 -0.651855D-01  0.602115D-01  0.138131D+02
      4  -0.777335D+00  0.175901D+01 -0.529665D+01  0.202688D+01 -0.279698D+01
      5   0.702843D+00  0.827567D+01  0.782395D+01 -0.918512D-01  0.880258D+00
      6  -0.357731D+01  0.136589D+02 -0.608999D+00  0.794712D+01  0.111759D+01
                46            47            48            49            50 
      1  -0.221823D+02  0.956204D+01  0.572822D+01 -0.289219D+01  0.942548D+01
      2   0.208591D+02 -0.113619D+02 -0.143967D+01 -0.318145D+01 -0.245290D+02
      3   0.132322D+01  0.179983D+01 -0.428855D+01  0.607364D+01  0.151036D+02
      4   0.501359D+01 -0.961876D+01  0.549579D+00 -0.139388D+02 -0.134439D+02
      5   0.200602D+00 -0.142537D+00 -0.159660D+02  0.156185D+01  0.323590D+00
      6  -0.135166D+00 -0.306442D+01 -0.720282D+01  0.318034D+00  0.127829D+01
                51            52            53            54            55 
      1  -0.786892D+00  0.259038D+01 -0.108618D+01  0.135824D+02 -0.231063D+02
      2   0.198527D+00  0.863549D+00  0.106043D+02  0.114082D+02  0.167570D+02
      3   0.588365D+00 -0.345393D+01 -0.951813D+01 -0.249905D+02  0.634929D+01
      4   0.827727D+00  0.440483D+01 -0.957581D-01  0.876182D+00  0.662986D+01
      5   0.102270D-01 -0.323091D+01 -0.203598D+01 -0.197687D+02 -0.103435D+02
      6  -0.505012D+01 -0.489634D+00 -0.400010D+01 -0.370680D+02  0.933842D+01
                56            57            58            59            60 
      1   0.214377D+00 -0.718179D+01 -0.523815D+01 -0.114292D+02 -0.453011D+01
      2  -0.638213D+01  0.567520D+01 -0.533028D+01  0.309841D+02  0.267014D+01
      3   0.616775D+01  0.150658D+01  0.105684D+02 -0.195549D+02  0.185997D+01
      4   0.196212D+02  0.702251D+01  0.291882D+02 -0.365577D+02 -0.587681D+01
      5   0.250553D+01  0.638404D+01  0.301019D+01 -0.586710D+01 -0.528906D+01
      6  -0.308486D+01 -0.560751D+00 -0.327808D+01  0.829372D+01  0.132702D+02
                61            62            63            64            65 
      1  -0.133466D+02 -0.266712D+01 -0.761265D+01 -0.348959D+00 -0.500043D+00
      2   0.514377D+01  0.860220D+01 -0.397323D+00 -0.254769D+01 -0.755122D+00
      3   0.820287D+01 -0.593509D+01  0.800997D+01  0.289665D+01  0.125516D+01
      4   0.172086D+02 -0.141669D+02 -0.704508D+01 -0.722109D+00  0.419090D+01
      5   0.854867D+01 -0.796533D+01 -0.583687D+01  0.292036D+01 -0.519924D+00
      6  -0.422128D+01  0.135324D+02  0.536957D+01 -0.234281D+01 -0.585666D+00
                66            67            68            69            70 
      1   0.302037D+01 -0.400379D+00 -0.304535D+01  0.243904D+01  0.398239D+01
      2  -0.166680D+01 -0.806374D+00  0.995578D+00 -0.278580D+01 -0.281054D+01
      3  -0.135358D+01  0.120675D+01  0.204977D+01  0.346752D+00 -0.117185D+01
      4  -0.239479D+01  0.391790D+01 -0.154188D+01  0.284025D+01 -0.455310D+01
      5   0.739365D+01  0.185212D+00  0.259998D+01 -0.447400D+00  0.618207D+01
      6   0.868237D+00  0.271596D+00 -0.342578D+01  0.825903D+01 -0.150470D+01
                71            72            73            74            75 
      1   0.370832D+01 -0.181154D+02  0.606340D+02 -0.265578D+01  0.675111D+01
      2  -0.314451D+01 -0.165453D+02 -0.383844D+02 -0.110688D+01 -0.700461D+01
      3  -0.563809D+00  0.346607D+02 -0.222496D+02  0.376266D+01  0.253493D+00
      4   0.506339D+01 -0.195754D+01  0.159477D+01  0.241060D+01  0.426533D+01
      5  -0.218493D+01  0.238046D+02  0.135923D+02  0.413907D+01  0.130990D+02
      6   0.678448D+01 -0.224759D+02  0.238842D+01  0.195359D+01  0.220854D+00
                76            77            78            79            80 
      1  -0.162467D+02 -0.905678D+01 -0.161447D-01  0.224690D+02  0.464340D+01
      2   0.566115D+01  0.201066D+01  0.175242D+01 -0.133386D+02  0.148223D+00
      3   0.105855D+02  0.704612D+01 -0.173627D+01 -0.913042D+01 -0.479163D+01
      4  -0.903298D+01 -0.269107D+02  0.827887D+01  0.992187D+01  0.138132D+02
      5   0.306603D+01  0.920116D+01 -0.462096D+01  0.174179D+02  0.477179D+00
      6   0.113724D+01  0.249652D+01  0.457225D+01  0.235761D+01  0.483471D+01
                81            82            83            84            85 
      1   0.374394D+01  0.335281D+01  0.148771D+01 -0.477290D+01  0.155128D+01
      2  -0.111382D+02 -0.477415D+01 -0.995821D+00  0.276470D+01 -0.987218D+00
      3   0.739426D+01  0.142134D+01 -0.491890D+00  0.200820D+01 -0.564066D+00
      4   0.456645D+00  0.141713D+01  0.978965D+00 -0.740433D+00  0.133497D+01
      5   0.767162D+01 -0.395931D+01 -0.203351D+00  0.695266D+01  0.917976D-01
      6   0.204011D+01 -0.759321D+00  0.349225D+00 -0.543197D+00 -0.781307D+00
                86            87            88            89            90 
      1  -0.511074D+01  0.182149D+01 -0.684943D+01  0.144365D+01 -0.173480D+02
      2   0.112569D+01 -0.126181D+01  0.548050D+01 -0.121983D+01 -0.174124D+02
      3   0.398505D+01 -0.559678D+00  0.136893D+01 -0.223818D+00  0.347604D+02
      4   0.230593D+00 -0.408906D+01 -0.257673D+01 -0.588846D+01  0.158026D+01
      5  -0.438901D+01  0.117856D+01  0.751847D+01  0.239862D+01 -0.330529D+02
      6  -0.208467D+01  0.937225D+01  0.651450D+00  0.620931D+01 -0.995984D+01
                91            92            93            94            95 
      1   0.203619D+01 -0.139468D+01  0.103149D+01 -0.208445D+01 -0.415042D+01
      2  -0.505992D+01  0.198728D+01 -0.370146D+00  0.242979D+01  0.180171D+01
      3   0.302374D+01 -0.592602D+00 -0.661345D+00 -0.345338D+00  0.234871D+01
      4  -0.375954D+00  0.203991D+01  0.245442D+01  0.240751D+01  0.144845D+01
      5   0.101959D+01  0.292283D+00  0.744165D+01 -0.146131D+00  0.653395D+00
      6   0.318355D+01 -0.776965D-01 -0.143891D+00  0.254274D+00  0.297964D+01
                96            97            98            99           100 
      1  -0.225263D+01  0.910107D+00 -0.511178D+01 -0.198373D+02  0.122492D+02
      2   0.389487D+01 -0.154358D+01  0.630512D+01 -0.180683D+02 -0.600176D+01
      3  -0.164225D+01  0.633477D+00 -0.119334D+01  0.379056D+02 -0.624746D+01
      4   0.980359D+00  0.405845D+01  0.174783D+01  0.522878D+00  0.211660D+02
      5  -0.290120D+00  0.553038D+01  0.293876D+00  0.651145D+01 -0.208049D+01
      6   0.738999D+01  0.119124D+01  0.658060D+01  0.268382D+02 -0.536646D+01
               101           102           103           104           105 
      1  -0.222439D+02  0.141086D+00 -0.129439D+02 -0.713858D+01  0.640530D+01
      2   0.389719D+02  0.198417D+01  0.252657D+02  0.164289D+02 -0.437726D+01
      3  -0.167280D+02 -0.212526D+01 -0.123219D+02 -0.929031D+01 -0.202803D+01
      4   0.150210D+02 -0.444502D+01  0.155444D+02  0.295866D+02 -0.604712D+00
      5  -0.565840D+00  0.885546D+01 -0.918286D+00 -0.332885D+01  0.261784D+01
      6  -0.867372D+00  0.673745D+01  0.545088D+00 -0.875240D+01  0.105924D+02
               106           107           108           109           110 
      1  -0.990854D+00  0.110331D+02 -0.793292D+01  0.217841D+01  0.321338D+01
      2  -0.372047D+00 -0.166035D+02  0.617963D+00 -0.426052D+01 -0.187385D+01
      3   0.136290D+01  0.557035D+01  0.731496D+01  0.208212D+01 -0.133953D+01
      4  -0.751859D+01 -0.475456D+01  0.536783D+01  0.894712D+01 -0.216664D+02
      5   0.644480D+01  0.330612D+01 -0.913901D+00  0.150390D+02  0.259719D+01
      6   0.630957D+01  0.137331D+02 -0.528213D+01  0.359410D+01  0.290420D+01
               111           112           113           114           115 
      1   0.674514D+01  0.168081D+02 -0.266024D+02  0.346891D+01  0.187227D+02
      2  -0.679743D+01 -0.125712D+02  0.630108D+01  0.436848D+01 -0.551903D+01
      3   0.522850D-01 -0.423691D+01  0.203014D+02 -0.783739D+01 -0.132037D+02
      4   0.418433D+01 -0.380580D+02 -0.202313D+02  0.900144D+01 -0.241523D+01
      5  -0.159260D+00 -0.970488D+00  0.101528D+02  0.251955D+01 -0.676827D+01
      6   0.645908D+01  0.946312D+00  0.135188D+01 -0.587879D+01 -0.118023D+01
               116           117           118           119           120 
      1   0.132083D+01  0.108404D+02  0.432572D+01  0.112081D+01 -0.305254D+01
      2   0.165603D+01  0.139640D+02 -0.562382D+01 -0.988651D+00  0.187000D+01
      3  -0.297685D+01 -0.248044D+02  0.129810D+01 -0.132159D+00  0.118254D+01
      4   0.125414D+02 -0.124325D+02  0.783843D+00  0.174443D+01  0.650635D+00
      5  -0.994435D+01 -0.497878D+02 -0.345100D+01  0.412333D+00  0.975242D+01
      6  -0.175095D+01 -0.399403D+01 -0.187855D+00 -0.208944D-01 -0.529792D+00
               121           122           123           124           125 
      1   0.143629D+01 -0.551730D+01 -0.107813D+01 -0.628322D+01  0.108778D+01
      2  -0.119443D+01  0.197014D+01  0.132005D+00  0.770967D+01  0.127614D+00
      3  -0.241859D+00  0.354716D+01  0.946127D+00 -0.142645D+01 -0.121539D+01
      4   0.203874D+01  0.351005D+00 -0.242799D+01 -0.628770D+00 -0.358969D+01
      5  -0.776161D+00 -0.355007D+01  0.139492D+01  0.932074D+01  0.104800D+01
      6  -0.621324D+00 -0.308801D+00  0.864754D+01  0.100026D+01  0.565663D+01
               126           127           128           129           130 
      1  -0.184158D+02  0.788746D+01 -0.179784D+01 -0.654372D+00  0.393275D+00
      2  -0.187470D+02  0.163585D+01  0.745353D+01  0.981391D+00  0.681705D+01
      3   0.371628D+02 -0.952331D+01 -0.565569D+01 -0.327019D+00 -0.721032D+01
      4   0.414607D+00  0.720952D+01  0.180278D+02 -0.188908D+00  0.209536D+02
      5  -0.286975D+02 -0.763187D+00 -0.676921D+00  0.623598D+01 -0.127393D+01
      6  -0.331150D+01 -0.104151D+01  0.586101D+00 -0.152285D+01  0.921698D+00
               131           132           133           134           135 
      1  -0.367997D+02  0.538558D+00 -0.164998D+01 -0.587651D+01  0.281542D+01
      2   0.686671D+02  0.132837D+01  0.101131D+01  0.474808D+01 -0.131162D-01
      3  -0.318674D+02 -0.186693D+01  0.638665D+00  0.112842D+01 -0.280231D+01
      4   0.249137D+02  0.112898D+01  0.109453D+01  0.320547D+01 -0.336916D+01
      5   0.661923D+00  0.448771D+00  0.349215D+01 -0.142176D+01  0.125227D+02
      6  -0.133229D+01  0.933503D+01 -0.230127D+01  0.198512D+01  0.343470D+02
               136           137           138           139           140 
      1   0.681037D+00 -0.761646D+00  0.162027D+01 -0.155008D+01 -0.589652D+01
      2  -0.368974D+01  0.808061D+00  0.570011D-01  0.184271D+01  0.439690D+01
      3   0.300870D+01 -0.464157D-01 -0.167727D+01 -0.292628D+00  0.149962D+01
      4  -0.560983D+00  0.348718D+01  0.369296D+01  0.280299D+01  0.203336D+01
      5   0.156382D+01  0.957556D+00  0.844631D+01  0.666234D-01  0.127863D+01
      6   0.442608D+01  0.982109D-01  0.637562D+00 -0.297223D-02  0.443529D+01
               141           142           143           144           145 
      1  -0.246149D+01  0.725368D+00 -0.805809D+01 -0.221880D+02  0.472212D+02
      2   0.396418D+01 -0.714477D+00  0.544901D+01 -0.134688D+02 -0.209466D+02
      3  -0.150269D+01 -0.108912D-01  0.260907D+01  0.356568D+02 -0.262746D+02
      4   0.950147D+00  0.524444D+01  0.411547D+01  0.132678D+01 -0.373494D+02
      5  -0.368272D+00  0.624479D+01  0.267602D+01  0.135104D+02  0.369745D+01
      6   0.808582D+01  0.183123D+01  0.116056D+02  0.331320D+02 -0.486782D+01
               146           147           148           149           150 
      1  -0.440515D+01  0.602664D+01  0.429934D+00  0.208068D+01  0.672294D+00
      2  -0.385402D+01 -0.237223D+01 -0.226105D+01  0.816289D+00 -0.111365D+01
      3   0.825917D+01 -0.365441D+01  0.183112D+01 -0.289697D+01  0.441351D+00
      4   0.156153D+02 -0.328915D+01  0.515242D+01 -0.205684D+01  0.106374D+01
      5  -0.147332D+00  0.779395D+01  0.401779D+00  0.112776D+01 -0.108721D+01
      6  -0.741301D-01 -0.630874D+01 -0.127244D+00 -0.459469D+00  0.304237D+00
               151           152           153           154           155 
      1   0.108871D+02 -0.491411D+00  0.419927D+01  0.203608D+02  0.125308D+02
      2  -0.549510D+01 -0.138273D+01 -0.234180D+01 -0.688393D+01 -0.243103D+01
      3  -0.539195D+01  0.187415D+01 -0.185746D+01 -0.134768D+02 -0.100997D+02
      4  -0.888851D+01  0.360239D+01 -0.403602D+01  0.179642D+02  0.200582D+02
      5   0.654032D+01 -0.144135D+01  0.219242D+01 -0.180575D+01 -0.163999D+01
      6  -0.418231D+01  0.194800D+01 -0.826052D+00 -0.399961D+00  0.552246D+00
               156           157           158           159           160 
      1  -0.257673D+01  0.252300D+02  0.136157D+02 -0.127917D+01 -0.697122D+01
      2   0.378503D+00 -0.802459D+01  0.361299D+01 -0.141186D+01  0.273207D+01
      3   0.219823D+01 -0.172054D+02 -0.172287D+02  0.269103D+01  0.423915D+01
      4  -0.215006D+01  0.282865D+02  0.361419D+02 -0.461324D+01 -0.709400D+01
      5   0.536766D+01 -0.206184D+01 -0.476704D+01  0.796693D+01  0.551130D+01
      6   0.193136D+01  0.418373D-01 -0.431442D+00  0.285763D+01  0.196813D+01
               161           162           163           164           165 
      1  -0.379803D+01  0.293992D+01 -0.600179D+01  0.178186D+02  0.305476D+00
      2  -0.366073D-01 -0.100451D+01  0.101461D+02 -0.285064D+02 -0.112305D+01
      3   0.383464D+01 -0.193541D+01 -0.414430D+01  0.106878D+02  0.817578D+00
      4  -0.914546D+01  0.490100D+01 -0.100825D+02  0.623282D+01  0.144290D+01
      5   0.480896D+01 -0.159932D+01  0.366149D+00 -0.949605D+00 -0.137556D+01
      6   0.280438D+01 -0.140091D+01  0.172621D+01 -0.638173D+00 -0.382067D+01
               166           167           168           169           170 
      1   0.896637D+01 -0.293421D+02 -0.755960D+00  0.114994D+01 -0.434000D+01
      2  -0.134596D+02  0.494788D+02  0.233940D+01 -0.181546D+01  0.646835D+01
      3   0.449324D+01 -0.201368D+02 -0.158344D+01  0.665512D+00 -0.212835D+01
      4   0.981845D+01 -0.627572D+01 -0.491978D+00  0.181104D+01 -0.122392D+01
      5  -0.776513D+00  0.108046D+01  0.525208D+00  0.946547D+00  0.155802D+00
      6  -0.793366D+00  0.109610D+01  0.740039D+01 -0.168952D+01  0.559867D+01
               171           172           173           174           175 
      1  -0.293784D+01  0.700056D+02 -0.106139D+02 -0.789383D+01 -0.113464D+02
      2   0.385282D+01 -0.367168D+02 -0.209231D+01  0.755021D+01  0.131948D+01
      3  -0.914980D+00 -0.332888D+02  0.127062D+02  0.343628D+00  0.100269D+02
      4  -0.869655D+00 -0.277893D+02  0.339449D+02  0.691117D+00  0.360455D+02
      5  -0.815493D+00 -0.112369D+02 -0.787254D-01  0.162162D+02  0.116170D+01
      6   0.382878D+00  0.106737D+01 -0.502576D+00 -0.579706D+01 -0.452917D+00
               176           177           178           179           180 
      1   0.302324D+02 -0.555818D+01 -0.191570D+02  0.519524D+00  0.633912D+01
      2  -0.172645D+02  0.113981D+01  0.104120D+02  0.247937D+01 -0.124136D+02
      3  -0.129679D+02  0.441836D+01  0.874492D+01 -0.299890D+01  0.607445D+01
      4   0.447380D+01 -0.596921D+01  0.799858D+01 -0.123210D+02 -0.556030D+01
      5  -0.777144D+01  0.635849D+00  0.210289D+02 -0.610527D+01 -0.633121D+01
      6   0.364331D+01  0.996493D+01 -0.399452D+01  0.661924D+01  0.432948D+01
               181           182           183           184           185 
      1  -0.138126D+01  0.162291D+01  0.823284D+01 -0.255123D+01  0.532239D+00
      2  -0.194959D+01 -0.501190D+00 -0.400816D+01  0.212912D+01 -0.149689D+01
      3   0.333085D+01 -0.112172D+01 -0.422469D+01  0.422101D+00  0.964653D+00
      4   0.125373D+01  0.402406D+01 -0.117823D+00  0.627317D+01  0.318847D+01
      5   0.642126D+01 -0.881775D-01  0.499835D+01  0.564017D-01  0.502245D+01
      6  -0.795537D-01 -0.803043D+00 -0.531958D+00  0.385277D+00  0.939470D+00
               186           187           188           189           190 
      1  -0.120606D+01  0.122110D+02 -0.485281D+01 -0.158675D+02  0.207319D+02
      2   0.392266D+00 -0.980610D+01  0.267648D+00 -0.206071D+02 -0.746937D+01
      3   0.813794D+00 -0.240491D+01  0.458516D+01  0.364746D+02 -0.132626D+02
      4   0.511027D+01  0.291581D+00  0.932704D+01  0.981358D+01  0.186044D+02
      5  -0.141233D+01  0.145909D+02  0.765031D+01  0.551284D+02 -0.500172D+01
      6   0.657977D+01  0.103886D+01  0.677364D+01  0.515455D+01 -0.117381D+01
               191           192           193           194           195 
      1   0.134122D+02 -0.499499D+01  0.195258D+02  0.100339D+02 -0.771753D+00
      2  -0.399805D+01  0.172129D+01 -0.635096D+01  0.717164D+01 -0.147020D+01
      3  -0.941416D+01  0.327370D+01 -0.131749D+02 -0.172055D+02  0.224195D+01
      4   0.214421D+02 -0.245666D+01  0.257683D+02  0.421195D+02 -0.646386D+01
      5  -0.186647D+01  0.615423D+01 -0.184232D+01 -0.593115D+01  0.701188D+01
      6  -0.493707D+00  0.206686D+01 -0.451924D+00 -0.204681D+01  0.428248D+01
               196           197           198           199           200 
      1  -0.103787D+02 -0.190461D+01  0.201275D+01 -0.133441D+01 -0.165765D+00
      2   0.464051D+01 -0.490904D+00 -0.267508D+01  0.107018D+01  0.125695D+01
      3   0.573815D+01  0.239551D+01  0.662326D+00  0.264233D+00 -0.109118D+01
      4  -0.456088D+01 -0.117619D+02  0.761873D+01  0.226510D+01  0.327081D+01
      5   0.751538D+01  0.778542D+01 -0.181168D+01 -0.129350D+01 -0.115742D+01
      6   0.221003D+01  0.433408D+01 -0.240513D+01 -0.275266D+01 -0.127690D+01
               201           202           203           204           205 
      1  -0.508478D+00  0.656135D+00 -0.448508D+01  0.241563D+01 -0.143028D+01
      2  -0.670133D-01  0.170951D+00  0.669896D+01 -0.459039D+01  0.294726D+00
      3   0.575491D+00 -0.827086D+00 -0.221388D+01  0.217476D+01  0.113555D+01
      4  -0.327578D+01  0.307560D+01  0.229381D+01 -0.184344D+01 -0.820250D+01
      5   0.248891D+01 -0.353248D+00 -0.147636D+01  0.177279D+01  0.416522D+01
      6   0.212562D+01 -0.920237D+00 -0.457192D+01  0.574034D+01  0.503436D+01
               206           207           208           209           210 
      1   0.128478D+02 -0.145874D+02 -0.108267D+02 -0.818463D+01  0.192154D+01
      2  -0.155008D+02  0.366930D+01  0.733586D+01  0.827074D+01 -0.103888D+01
      3   0.265304D+01  0.109181D+02  0.349079D+01 -0.861037D-01 -0.882665D+00
      4  -0.778486D+01  0.734118D+01  0.104134D+01 -0.104536D+02  0.130505D+00
      5   0.547918D+01 -0.144261D+02  0.139038D+01  0.117862D+01 -0.247091D+01
      6   0.177470D+02 -0.406170D+02 -0.723655D+00 -0.779170D+00  0.272797D+00
               211           212           213           214           215 
      1  -0.198995D+02 -0.166259D+02  0.222129D+01  0.370741D+01  0.317287D+01
      2   0.117499D+02  0.247335D+02 -0.293305D+01 -0.221204D+01 -0.331938D+01
      3   0.814958D+01 -0.810759D+01  0.711767D+00 -0.149537D+01  0.146516D+00
      4   0.410080D+01 -0.383089D+02  0.190543D+01  0.260822D-02  0.562216D+01
      5   0.209741D+01  0.314185D+01 -0.965104D+01  0.139692D+01 -0.334832D+01
      6   0.402975D-01 -0.161195D+01  0.368831D+01  0.409923D+00  0.359839D+01
               216 
      1  -0.127300D+01
      2   0.139046D+01
      3  -0.117460D+00
      4  -0.269830D+01
      5  -0.297005D+00
      6  -0.737504D+00
 Leave Link  716 at Wed Mar 16 20:09:40 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124757D+03  0.175015D+01 -0.573271D-03
      2   0.175015D+01  0.119643D+03 -0.302146D+00
      3  -0.573271D-03 -0.302146D+00  0.997032D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.302933D+00 -0.364920D+01 -0.358753D+01
      2  -0.284242D+01  0.167742D+01  0.759262D+01
      3   0.120719D+02 -0.137717D+02 -0.306936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.322453D+02 -0.188580D+02 -0.879808D+01
      2  -0.268853D+02  0.205035D+02  0.556178D+01
      3  -0.536007D+01 -0.164554D+01  0.323629D+01
      4  -0.220628D+00 -0.712062D+01  0.165278D+01
      5  -0.491650D+01  0.174593D+01  0.127104D+02
      6  -0.422978D+01  0.611870D+01  0.566506D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.299787D+01 -0.291360D+01 -0.133978D+01 -0.335176D+01  0.347093D+01
      2  -0.291360D+01  0.421391D+01  0.335499D+00  0.347093D+01  0.430866D+00
      3  -0.133978D+01  0.335499D+00 -0.125001D+01  0.468889D+00 -0.122378D+01
                 6             7             8             9            10 
      1   0.468889D+00 -0.175807D+01  0.930264D+00  0.169353D+00  0.462958D+01
      2  -0.122378D+01  0.930264D+00 -0.211662D+01 -0.984693D+00  0.239917D+01
      3   0.723851D+00  0.169353D+00 -0.984693D+00  0.118976D+02  0.180017D+01
                11            12            13            14            15 
      1   0.239917D+01  0.180017D+01  0.240873D+01 -0.317241D+01 -0.206792D+00
      2  -0.221747D+01  0.789755D-01 -0.317241D+01 -0.191970D+01  0.735923D+00
      3   0.789755D-01 -0.206783D+01 -0.206792D+00  0.735923D+00  0.721206D+00
                16            17            18            19            20 
      1   0.333328D+01 -0.280310D+00  0.512854D+00  0.262325D+01  0.263295D+01
      2  -0.280310D+00  0.778458D+00  0.727895D+00  0.263295D+01 -0.345417D+01
      3   0.512854D+00  0.727895D+00 -0.119127D+02  0.109504D+01  0.197239D+00
                21            22            23            24            25 
      1   0.109504D+01  0.211457D+01 -0.456163D+01 -0.493120D-01  0.153031D+01
      2   0.197239D+00 -0.456163D+01 -0.273664D+01  0.153423D+01  0.567006D+00
      3   0.446776D+00 -0.493120D-01  0.153423D+01  0.186023D+01 -0.362578D+00
                26            27            28            29            30 
      1   0.567006D+00 -0.362578D+00 -0.236173D+01 -0.336604D+00 -0.121116D+01
      2   0.282566D+01  0.269521D+00 -0.336604D+00  0.393003D+01 -0.382433D+00
      3   0.269521D+00 -0.119304D+02 -0.121116D+01 -0.382433D+00 -0.561932D+00
                31            32            33            34            35 
      1   0.526456D+00  0.521740D+01  0.773635D+00 -0.189589D+01  0.183319D+00
      2   0.521740D+01  0.284137D+01 -0.127582D+01  0.183319D+00 -0.204351D+01
      3   0.773635D+00 -0.127582D+01 -0.120196D+01 -0.574721D+00  0.197553D+00
                36            37            38            39            40 
      1  -0.574721D+00  0.762152D+01 -0.312012D-01  0.902241D+00 -0.153700D+01
      2   0.197553D+00 -0.312012D-01 -0.158973D+00 -0.810943D+00 -0.833889D+00
      3   0.124357D+02  0.902241D+00 -0.810943D+00 -0.299714D+00 -0.468721D+00
                41            42            43            44            45 
      1  -0.833889D+00 -0.468721D+00  0.371360D+01  0.804704D+00  0.627356D+00
      2  -0.521236D+01  0.864617D+00  0.804704D+00  0.243286D+01 -0.786225D+00
      3   0.864617D+00  0.100702D+01  0.627356D+00 -0.786225D+00 -0.221722D+01
                46            47            48            49            50 
      1  -0.478395D+01 -0.384829D+01 -0.797223D+00 -0.219715D+01  0.251574D+01
      2  -0.384829D+01  0.105425D+01  0.111293D+01  0.251574D+01  0.160649D+01
      3  -0.797223D+00  0.111293D+01  0.303120D+00  0.146966D+00 -0.199963D+00
                51            52            53            54            55 
      1   0.146966D+00 -0.295327D+01  0.897682D-01  0.592184D-03  0.389040D+01
      2  -0.199963D+00  0.897682D-01 -0.187366D+01  0.607575D+00  0.222954D+01
      3  -0.326672D+01  0.592184D-03  0.607575D+00  0.117380D+02  0.206439D+01
                56            57            58            59            60 
      1   0.222954D+01  0.206439D+01  0.343090D+01 -0.344623D+01 -0.288963D+00
      2  -0.165751D+01 -0.143253D+00 -0.344623D+01  0.779788D+01  0.137409D+01
      3  -0.143253D+00  0.159033D+01 -0.288963D+00  0.137409D+01 -0.267829D+00
                61            62            63            64            65 
      1   0.405874D+01 -0.147654D+01 -0.803944D+00  0.541204D+00  0.414880D+00
      2  -0.147654D+01  0.291993D+01  0.175566D+01  0.414880D+00 -0.743102D+00
      3  -0.803944D+00  0.175566D+01  0.107546D+00 -0.102395D+01  0.560208D-01
                66            67            68            69            70 
      1  -0.102395D+01  0.582992D+00 -0.617780D+00  0.933078D-01 -0.222732D+01
      2   0.560208D-01 -0.617780D+00  0.629340D-01 -0.114696D+01  0.135137D+00
      3   0.352003D-01  0.933078D-01 -0.114696D+01  0.506528D+00 -0.545198D+00
                71            72            73            74            75 
      1   0.135137D+00 -0.545198D+00 -0.889709D+01  0.292116D+00 -0.167038D+01
      2  -0.209391D+01  0.934804D+00  0.292116D+00  0.128792D+01 -0.561541D+00
      3   0.934804D+00 -0.978985D+01 -0.167038D+01 -0.561541D+00  0.131008D+01
                76            77            78            79            80 
      1   0.351226D+01  0.123921D+01 -0.262078D+00 -0.438973D+01 -0.126432D+01
      2   0.123921D+01  0.450705D+01 -0.161355D+01 -0.126432D+01 -0.238231D+01
      3  -0.262078D+00 -0.161355D+01  0.140295D+01 -0.176631D+01 -0.120081D+00
                81            82            83            84            85 
      1  -0.176631D+01 -0.871041D+00 -0.384950D+00  0.110475D+01 -0.470237D+00
      2  -0.120081D+00 -0.384950D+00  0.522845D+00  0.293997D-01  0.452651D+00
      3  -0.209684D+00  0.110475D+01  0.293997D-01 -0.685839D-01  0.469525D-01
                86            87            88            89            90 
      1   0.452651D+00  0.469525D-01  0.208117D+01  0.206569D+00 -0.786321D+00
      2   0.911660D-01  0.121510D+01  0.206569D+00  0.211125D+01 -0.628146D+00
      3   0.121510D+01 -0.634537D+00 -0.786321D+00 -0.628146D+00  0.980108D+01
                91            92            93            94            95 
      1  -0.154984D+00 -0.535237D+00  0.109541D+01 -0.337725D+00  0.718921D+00
      2  -0.535237D+00  0.654355D+00  0.599985D-01  0.718921D+00  0.537535D+00
      3   0.109541D+01  0.599985D-01  0.160246D+00  0.999121D-01  0.112996D+01
                96            97            98            99           100 
      1   0.999121D-01  0.215221D+01 -0.991536D-01  0.426730D+00  0.477935D+01
      2   0.112996D+01 -0.991536D-01  0.214460D+01  0.556432D+00  0.814196D+00
      3   0.306636D-01  0.426730D+00  0.556432D+00  0.100531D+02 -0.118197D+01
               101           102           103           104           105 
      1   0.814196D+00 -0.118197D+01 -0.436110D+00  0.506003D+01  0.168340D+00
      2   0.679523D+01 -0.904751D-02  0.506003D+01  0.331711D+01 -0.120731D+01
      3  -0.904751D-02  0.516755D+00  0.168340D+00 -0.120731D+01 -0.163623D+01
               106           107           108           109           110 
      1  -0.154074D+01 -0.385563D+00  0.983992D+00  0.282325D+01  0.417789D+00
      2  -0.385563D+00 -0.333134D+01  0.142663D+01  0.417789D+00 -0.315061D+01
      3   0.983992D+00  0.142663D+01  0.143259D+00  0.216835D+01  0.525080D+00
               111           112           113           114           115 
      1   0.216835D+01  0.859508D+00 -0.568421D+01  0.793141D-01  0.308875D+01
      2   0.525080D+00 -0.568421D+01 -0.365432D+01  0.173953D+01 -0.189859D+00
      3   0.180304D+01  0.793141D-01  0.173953D+01 -0.839781D+00 -0.115617D+01
               116           117           118           119           120 
      1  -0.189859D+00 -0.115617D+01  0.120279D+01  0.274687D+00 -0.120788D+01
      2   0.209545D+01 -0.183143D+01  0.274687D+00 -0.434036D+00  0.872859D-01
      3  -0.183143D+01 -0.103495D+02 -0.120788D+01  0.872859D-01  0.858084D+00
               121           122           123           124           125 
      1   0.224408D+00 -0.516806D+00 -0.352959D+00 -0.255797D+01 -0.283082D+00
      2  -0.516806D+00 -0.251612D-01 -0.118590D+01 -0.283082D+00 -0.196702D+01
      3  -0.352959D+00 -0.118590D+01  0.198931D+00  0.136956D+01  0.302076D+00
               126           127           128           129           130 
      1   0.136956D+01 -0.110857D+01 -0.171635D+01  0.259869D+00 -0.179616D+01
      2   0.302076D+00 -0.171635D+01 -0.875594D+00 -0.237794D+00 -0.156675D+01
      3  -0.100304D+02  0.259869D+00 -0.237794D+00  0.830768D+00 -0.307720D+00
               131           132           133           134           135 
      1  -0.156675D+01 -0.307720D+00 -0.261031D+00 -0.339740D+00  0.513741D+00
      2  -0.101445D+02 -0.314574D+00 -0.339740D+00 -0.207619D+01  0.729214D+00
      3  -0.314574D+00  0.161964D+01  0.513741D+00  0.729214D+00 -0.727746D+01
               136           137           138           139           140 
      1   0.338906D+00  0.150121D+00 -0.128445D+01  0.149904D+00 -0.523700D+00
      2   0.150121D+00 -0.262951D+00 -0.219655D+00 -0.523700D+00 -0.113825D+01
      3  -0.128445D+01 -0.219655D+00 -0.294105D-01  0.197212D-01 -0.115609D+01
               141           142           143           144           145 
      1   0.197212D-01 -0.214894D+01 -0.563596D+00 -0.495004D+00 -0.100332D+02
      2  -0.115609D+01 -0.563596D+00 -0.217964D+01 -0.190072D+01  0.214764D+01
      3  -0.317516D+00 -0.495004D+00 -0.190072D+01 -0.100010D+02 -0.876781D+00
               146           147           148           149           150 
      1   0.214764D+01 -0.876781D+00  0.366937D+00 -0.703924D+00 -0.423642D-01
      2  -0.250313D+01 -0.613750D-01 -0.703924D+00  0.312500D+00 -0.231288D+00
      3  -0.613750D-01 -0.184300D+01 -0.423642D-01 -0.231288D+00  0.278696D+00
               151           152           153           154           155 
      1  -0.247022D+01  0.433981D+00 -0.995239D+00 -0.370259D+01 -0.257248D+01
      2   0.433981D+00 -0.748297D+00  0.332653D+00 -0.257248D+01 -0.301330D+01
      3  -0.995239D+00  0.332653D+00 -0.255103D+00  0.292157D+00  0.230492D+00
               156           157           158           159           160 
      1   0.292157D+00 -0.505584D+01 -0.365052D+01  0.211855D+00  0.147386D+01
      2   0.230492D+00 -0.365052D+01 -0.591784D+01  0.711398D+00  0.984863D+00
      3  -0.105822D+01  0.211855D+00  0.711398D+00 -0.144627D+01 -0.758068D+00
               161           162           163           164           165 
      1   0.984863D+00 -0.758068D+00 -0.245683D+01  0.154274D+01  0.337075D+00
      2   0.157471D+01 -0.671377D+00  0.154274D+01 -0.459674D+01 -0.530759D-01
      3  -0.671377D+00  0.232446D+00  0.337075D+00 -0.530759D-01 -0.683739D+00
               166           167           168           169           170 
      1   0.228681D+01 -0.171085D+01 -0.185501D+00  0.531076D+00 -0.277081D+00
      2  -0.171085D+01  0.797982D+01  0.203010D+00 -0.277081D+00  0.104581D+01
      3  -0.185501D+00  0.203010D+00  0.155224D+01 -0.132627D+00  0.733075D+00
               171           172           173           174           175 
      1  -0.132627D+00  0.891551D+01 -0.282089D+01 -0.155263D+01 -0.119133D+01
      2   0.733075D+00 -0.282089D+01  0.404108D+01 -0.154406D+00  0.439227D+01
      3  -0.823307D-01 -0.155263D+01 -0.154406D+00  0.146773D+00 -0.102861D-01
               176           177           178           179           180 
      1   0.439227D+01 -0.102861D-01 -0.290061D+01  0.790457D+00  0.203911D+01
      2   0.219075D+01 -0.937216D+00  0.790457D+00 -0.190514D+01 -0.722465D+00
      3  -0.937216D+00  0.140983D+01  0.203911D+01 -0.722465D+00 -0.486877D+00
               181           182           183           184           185 
      1  -0.473742D+00  0.330164D+00  0.114157D+01 -0.356734D+00  0.855466D+00
      2   0.330164D+00  0.338055D+00 -0.143945D+00  0.855466D+00  0.531483D+00
      3   0.114157D+01 -0.143945D+00 -0.425392D+00 -0.181401D-01  0.103270D+01
               186           187           188           189           190 
      1  -0.181401D-01  0.263591D+01 -0.212147D+00  0.157898D+01  0.305602D+01
      2   0.103270D+01 -0.212147D+00  0.181732D+01  0.140843D+01  0.250502D+01
      3  -0.170672D+00  0.157898D+01  0.140843D+01  0.104596D+02 -0.863956D+00
               191           192           193           194           195 
      1   0.250502D+01 -0.863956D+00  0.382424D+01  0.333055D+01 -0.286987D+00
      2   0.269213D+01 -0.286154D+00  0.333055D+01  0.685150D+01 -0.107034D+01
      3  -0.286154D+00  0.695909D+00 -0.286987D+00 -0.107034D+01  0.110571D+01
               196           197           198           199           200 
      1  -0.195136D+01 -0.533834D+00  0.992442D+00 -0.407200D+00 -0.469525D+00
      2  -0.533834D+00 -0.198527D+01  0.119008D+01 -0.469525D+00 -0.456286D+00
      3   0.992442D+00  0.119008D+01 -0.121133D+00  0.506691D+00  0.239281D+00
               201           202           203           204           205 
      1   0.506691D+00 -0.525308D+00 -0.206912D+00  0.123918D+00  0.179952D+01
      2   0.239281D+00 -0.206912D+00 -0.129441D+01  0.723758D+00  0.629493D+00
      3  -0.390015D+00  0.123918D+00  0.723758D+00 -0.860898D+00 -0.947221D+00
               206           207           208           209           210 
      1   0.629493D+00 -0.947221D+00 -0.217302D+01 -0.521877D+00  0.242447D+00
      2   0.386937D+01 -0.296783D+01 -0.521877D+00 -0.200594D+01  0.111420D+00
      3  -0.296783D+01  0.769945D+01  0.242447D+00  0.111420D+00 -0.192327D-01
               211           212           213           214           215 
      1  -0.303236D+01 -0.575495D-01  0.247011D+00  0.656709D+00  0.149663D+00
      2  -0.575495D-01 -0.701524D+01  0.298486D+00  0.149663D+00  0.108748D+01
      3   0.247011D+00  0.298486D+00 -0.177508D+01  0.108691D+00 -0.558624D+00
               216 
      1   0.108691D+00
      2  -0.558624D+00
      3   0.959299D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.149125D+01  0.212916D+00 -0.125938D+01 -0.205287D+01  0.556287D+00
      2   0.181654D+01 -0.564705D+00  0.214877D+00 -0.324467D+00  0.258378D+01
      3  -0.375724D+01 -0.149456D+01 -0.130541D+01  0.323907D+01  0.256775D+01
                 6             7             8             9            10 
      1   0.275690D+00 -0.196337D+00  0.452428D+01 -0.941173D+01  0.102366D+01
      2   0.984387D+00 -0.296029D+01  0.667023D+00 -0.107411D+02 -0.255579D+01
      3  -0.180138D+00  0.311158D+00 -0.199858D+01 -0.864580D+00  0.727463D+00
                11            12            13            14            15 
      1  -0.991143D+00 -0.293143D+00  0.486092D+00 -0.141927D+01 -0.108910D+01
      2  -0.174812D+01  0.675565D+00 -0.240599D+00 -0.265080D+01 -0.240166D+01
      3  -0.620926D+01 -0.762039D+00 -0.780333D+00 -0.849908D+00  0.229849D+01
                16            17            18            19            20 
      1  -0.574769D+00  0.267295D+01 -0.558064D+01 -0.100877D+01 -0.431990D+00
      2  -0.420423D+01 -0.149532D+01  0.141464D+02 -0.126233D+01  0.437071D+00
      3  -0.226118D+01  0.170958D+01  0.877647D+00  0.161059D+01  0.858780D+00
                21            22            23            24            25 
      1   0.121613D+01 -0.334954D+00 -0.250814D+01  0.286842D+00  0.157648D+01
      2   0.140061D+01 -0.117670D+01  0.400624D+00 -0.463564D+00 -0.339801D+01
      3   0.143305D+01  0.665493D+01 -0.522452D+01 -0.160735D+01  0.155628D+01
                26            27            28            29            30 
      1   0.290236D+01  0.113857D+02  0.958104D+00 -0.352336D+00  0.189854D+01
      2  -0.278269D+00 -0.268394D+01 -0.242767D+01 -0.604189D+00 -0.633825D+00
      3   0.528960D+00 -0.740496D+00 -0.593143D+01 -0.101833D+02 -0.428235D+00
                31            32            33            34            35 
      1  -0.114812D+01  0.175637D+01  0.276902D+01  0.190592D+01  0.304281D+01
      2  -0.111904D+01 -0.174837D+01 -0.294584D+01 -0.469231D+01  0.226752D+01
      3  -0.832520D+01 -0.249751D+01  0.245014D+01  0.573341D-02  0.127334D+01
                36            37            38            39            40 
      1  -0.474876D+01  0.121229D+01  0.245024D+00 -0.375603D+01  0.871238D+00
      2   0.190472D+02  0.973313D+00  0.596670D+00  0.111333D+02  0.271491D+00
      3  -0.594248D+00 -0.101358D+02 -0.863936D+01 -0.111800D+01  0.133505D+02
                41            42            43            44            45 
      1   0.502721D+00 -0.777159D+01  0.285536D+01  0.539909D+01 -0.146501D-01
      2   0.135457D+01  0.325217D+01 -0.673184D+01 -0.274347D+01  0.835413D+00
      3   0.578714D+01 -0.918962D+00 -0.438446D+01 -0.264299D+01 -0.449704D+00
                46            47            48            49            50 
      1  -0.765772D+00  0.212837D+00  0.250357D+01 -0.195782D+00 -0.869594D+00
      2   0.127403D+01  0.976028D-01 -0.707678D+01 -0.689925D+00  0.129468D+01
      3   0.373423D+01  0.719608D+01  0.152615D+01  0.419061D+01  0.215106D+01
                51            52            53            54            55 
      1  -0.115460D+01 -0.163127D+01  0.303194D+01  0.153233D+02 -0.429645D+01
      2  -0.146878D+00 -0.382103D+01 -0.229983D+01 -0.115862D+02 -0.781460D+01
      3  -0.180776D+01  0.389757D+01 -0.157472D+01  0.534465D+00  0.155388D+02
                56            57            58            59            60 
      1   0.620676D-01  0.674841D-01  0.158728D+01 -0.234640D+01 -0.654803D+01
      2   0.230529D+01  0.153478D+01  0.596872D+00 -0.219398D+01 -0.275928D+01
      3  -0.278859D+01  0.332659D+01  0.843422D+01  0.946406D+01  0.110727D+01
                61            62            63            64            65 
      1   0.329923D+00  0.146424D+01 -0.260152D+01  0.711238D+00 -0.368980D-01
      2  -0.499334D+01 -0.171262D+01 -0.269696D+01  0.153307D+01 -0.194056D+00
      3   0.699684D+01  0.420343D+01  0.173445D+01  0.877229D+00 -0.150839D+01
                66            67            68            69            70 
      1  -0.519779D+00 -0.282824D-01  0.138181D+01 -0.113217D+01 -0.185744D-02
      2   0.105904D+01 -0.300288D-01  0.797260D+00  0.840183D-01 -0.438871D+01
      3  -0.815706D+00  0.113752D+01 -0.486086D+00 -0.113355D+01 -0.238963D+01
                71            72            73            74            75 
      1   0.410770D+01  0.905000D+01 -0.228415D+01 -0.105039D+01  0.980966D-01
      2  -0.563033D+00  0.105238D+02  0.521745D+01  0.327523D+01  0.648048D+01
      3  -0.215652D+01  0.711601D+00  0.924761D+01 -0.347105D+01 -0.483009D+00
                76            77            78            79            80 
      1  -0.320646D+01 -0.286800D+01 -0.117964D+01  0.744740D+00  0.500810D+01
      2   0.248272D+01  0.560000D+01 -0.310207D+01 -0.108382D+01 -0.961076D+00
      3   0.653589D+01  0.175141D+02 -0.358913D+01  0.566186D+00 -0.807825D+01
                81            82            83            84            85 
      1  -0.980879D+00  0.324758D+00  0.416712D+00  0.496264D+00  0.604130D+00
      2   0.371078D+01 -0.172781D+01  0.452518D-01  0.737590D+00  0.364970D+00
      3   0.112078D+01 -0.781636D-02 -0.246765D+00 -0.308475D+00  0.191566D+01
                86            87            88            89            90 
      1   0.687667D+00 -0.198693D+01 -0.131345D-01  0.464574D+01  0.382580D+01
      2  -0.180125D+01  0.479275D+00 -0.375705D+01  0.733064D+00 -0.143118D+02
      3   0.284209D+00  0.140008D+01 -0.728544D+00  0.331919D+01 -0.321149D-01
                91            92            93            94            95 
      1  -0.167975D+01  0.147655D+00  0.133385D+00 -0.114804D+00 -0.133731D+01
      2   0.384449D+00  0.642067D+00  0.906746D+00  0.592244D+00  0.220351D+00
      3   0.894061D-01 -0.187425D+01  0.129959D+01  0.612666D+00  0.517155D+00
                96            97            98            99           100 
      1  -0.809046D+00 -0.563576D+00  0.417084D+01 -0.116373D+02  0.283834D+01
      2  -0.332911D+00 -0.532505D+01  0.201777D+00  0.234265D+01  0.196597D-01
      3  -0.160429D+00  0.279753D+01 -0.106282D+01  0.191597D+00  0.152883D+02
               101           102           103           104           105 
      1  -0.114482D+01 -0.428198D+01 -0.878591D+00  0.545052D+01 -0.456106D+01
      2  -0.162184D+01  0.404103D+01  0.598700D+00  0.496477D+00  0.177647D+01
      3  -0.116343D+02 -0.217671D+01 -0.610910D+00  0.977547D+01  0.154932D+01
               106           107           108           109           110 
      1  -0.250500D+01  0.230971D+01  0.248694D+01 -0.204986D+01 -0.157063D+01
      2  -0.303862D+01  0.122309D+01 -0.597346D+00  0.479379D+01  0.151897D+01
      3  -0.524269D+01  0.173431D+01  0.108791D+01  0.344593D+01  0.807799D+01
               111           112           113           114           115 
      1  -0.292425D+01 -0.307207D+01 -0.380759D+01  0.126171D+01  0.323454D+00
      2   0.227778D+01  0.220574D+01  0.639774D+01  0.522355D+00 -0.756097D+01
      3  -0.766814D+00  0.181901D+02  0.614963D+01 -0.475022D+01  0.769141D+00
               116           117           118           119           120 
      1   0.227317D+01  0.589193D+01  0.380968D+00  0.517523D+00  0.419937D+00
      2  -0.472328D+01 -0.251259D+02 -0.135916D+01  0.273970D+00  0.241904D+01
      3  -0.604691D+01  0.458439D+01 -0.127768D+00  0.234798D+00 -0.549348D+00
               121           122           123           124           125 
      1   0.208023D+00  0.113073D+00 -0.929463D+00 -0.136345D+00  0.465113D+01
      2  -0.533594D+00 -0.189228D+01  0.383235D+00 -0.404221D+01  0.534994D-01
      3   0.288876D+01 -0.785382D+00  0.179070D+01 -0.282711D+00  0.346180D+01
               126           127           128           129           130 
      1   0.298394D+01  0.333664D+00 -0.923645D+00  0.121501D+01 -0.241977D+00
      2  -0.138445D+02 -0.393666D+00 -0.141974D+01  0.479752D+01  0.749749D+00
      3  -0.125617D+01  0.191542D+01 -0.263112D+01  0.404857D+00  0.110821D+02
               131           132           133           134           135 
      1   0.106648D+00 -0.550172D+01  0.295646D+01  0.636125D+01 -0.205042D+02
      2   0.805149D-02  0.359456D+00 -0.112629D+01 -0.797950D+00  0.615625D+01
      3  -0.596801D+01  0.504906D+00  0.343185D-01  0.148047D+00 -0.923248D+00
               136           137           138           139           140 
      1  -0.224170D+01 -0.301826D+00 -0.339975D+00  0.392822D+00 -0.129324D+01
      2   0.101180D+01  0.110139D+00  0.105133D+01  0.707625D+00  0.791904D+00
      3  -0.201559D+00 -0.197969D+01  0.216440D+01  0.226012D+00  0.396480D+00
               141           142           143           144           145 
      1  -0.103263D+01 -0.132389D+00  0.293117D+01 -0.140873D+02  0.275666D+01
      2  -0.359738D-01 -0.466735D+01  0.113561D+01  0.839434D+01  0.624018D+01
      3  -0.702898D+00  0.372895D+01 -0.528076D+00  0.430504D+00 -0.196070D+02
               146           147           148           149           150 
      1  -0.119831D+00  0.344798D+01  0.174394D+00  0.687692D+00 -0.198781D+00
      2  -0.859824D+00  0.569323D+01  0.446047D-01  0.510284D+00 -0.346065D+00
      3  -0.345642D+01 -0.253469D+01 -0.115221D+01 -0.244213D+01 -0.793245D+00
               151           152           153           154           155 
      1   0.208909D+01  0.134185D+00  0.616743D+00  0.130147D+01  0.149394D+01
      2   0.267779D+01 -0.881071D+00  0.119382D+01 -0.197874D+01 -0.170680D+01
      3  -0.539408D+01 -0.143239D+01 -0.151156D+01 -0.542575D+01 -0.764147D+01
               156           157           158           159           160 
      1  -0.145798D+01  0.234735D+01  0.275803D+01 -0.269081D+01 -0.128370D+01
      2   0.314700D+01 -0.244622D+01 -0.412587D+01  0.488215D+01  0.164590D+01
      3   0.541958D+00 -0.550293D+01 -0.187380D+02  0.241467D+01  0.146176D+01
               161           162           163           164           165 
      1  -0.523374D+00  0.740262D+00 -0.180003D+01  0.171178D+01  0.285189D+01
      2   0.252319D+01 -0.948168D+00 -0.275770D+00  0.695144D+00 -0.188535D+00
      3   0.509392D+01 -0.149086D+01 -0.122697D+02  0.846163D+01  0.146305D+01
               166           167           168           169           170 
      1   0.143427D+01 -0.259956D+01 -0.483402D+01  0.685857D+00 -0.143520D+01
      2   0.454560D+00 -0.993036D+00 -0.143191D+00 -0.904551D+00  0.104194D+00
      3   0.102045D+02 -0.123303D+02 -0.812054D+00  0.262812D+01 -0.169473D+01
               171           172           173           174           175 
      1  -0.197537D+00 -0.517399D+00 -0.662093D+00  0.411048D+01  0.395858D+00
      2  -0.224029D+00 -0.519631D+01  0.106614D+01  0.794945D+01 -0.145773D+01
      3  -0.947615D+00  0.208453D+01 -0.214952D+02  0.119260D+00 -0.123448D+02
               176           177           178           179           180 
      1  -0.281366D+01 -0.400645D+01 -0.265675D+00  0.490948D+01 -0.213896D+01
      2  -0.327051D+01  0.117395D+00  0.235367D+01 -0.218874D+01 -0.312133D+01
      3  -0.103480D+02  0.348244D+01  0.502782D+00  0.732437D+01  0.201992D+01
               181           182           183           184           185 
      1  -0.321910D+00  0.111746D+00  0.352971D-01  0.519733D+00 -0.249726D+00
      2   0.410038D+01 -0.791524D+00 -0.326827D+00 -0.168579D+00  0.255239D+01
      3  -0.140403D+01 -0.148476D+01  0.824561D+00 -0.115971D+01 -0.981235D+00
               186           187           188           189           190 
      1  -0.311312D+00 -0.117955D+01  0.404866D+01 -0.465712D+01  0.166415D+01
      2  -0.491684D+00 -0.152508D+01  0.428670D+01  0.273723D+02 -0.281635D+01
      3  -0.252981D+01  0.189598D+01 -0.500071D+01 -0.351724D+01 -0.468965D+01
               191           192           193           194           195 
      1   0.937755D+00 -0.152256D+01  0.136703D+01  0.268237D+01 -0.321255D+01
      2  -0.133999D+01  0.337971D+01 -0.138138D+01 -0.414195D+01  0.401034D+01
      3  -0.750590D+01  0.353523D+00 -0.423868D+01 -0.193867D+02  0.308616D+01
               196           197           198           199           200 
      1  -0.957131D+00 -0.167207D+00  0.538759D+00  0.145925D+01  0.586671D+00
      2   0.198781D+01  0.351160D+01 -0.860677D+00 -0.747677D+00 -0.587934D+00
      3  -0.191211D+00  0.581586D+01 -0.283274D+01  0.533174D+00  0.359940D+00
               201           202           203           204           205 
      1  -0.127281D+01  0.187419D+00  0.279409D+01 -0.217040D+01 -0.320123D+01
      2   0.200970D+00 -0.614685D+00 -0.884625D+00  0.970156D+00 -0.187851D+01
      3  -0.123467D+01  0.101522D+01 -0.541645D+00  0.363573D+00 -0.429971D+01
               206           207           208           209           210 
      1  -0.615329D+01  0.232702D+02  0.509989D+00  0.928973D+00 -0.866197D+00
      2   0.272402D+01 -0.698943D+01  0.119233D+01  0.224141D+00 -0.102234D+01
      3   0.176057D+01  0.130843D+00  0.759194D+01  0.923200D+01 -0.824415D+00
               211           212           213           214           215 
      1   0.697150D+00  0.278628D+01 -0.332468D+01  0.477274D-01 -0.486520D+00
      2   0.111368D+01  0.694582D+00 -0.465229D+01 -0.943095D+00 -0.166075D+01
      3   0.681428D+01  0.268465D+02 -0.146453D+01 -0.197816D+01 -0.415669D+01
               216 
      1   0.297712D+00
      2   0.109138D-01
      3   0.173647D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.712631D+01 -0.209377D+01  0.734416D-01  0.656299D+01 -0.247004D+00
      2  -0.689137D+01  0.127873D+02 -0.182539D+01  0.226499D+01 -0.807841D+01
      3  -0.234941D+00 -0.106935D+02  0.175195D+01 -0.882798D+01  0.832542D+01
      4   0.938554D+01 -0.160970D+02 -0.198708D+01 -0.194244D+02  0.115308D+02
      5   0.487330D+01 -0.228168D+01 -0.387757D+01 -0.484369D+01  0.169166D+01
      6  -0.154417D+01  0.408758D+01  0.390557D+01  0.393007D+01 -0.427839D+01
                 6             7             8             9            10 
      1   0.748135D+00  0.420743D+01  0.395314D+00  0.109362D+02 -0.267915D+02
      2   0.366746D+00  0.138180D+01 -0.768287D+01  0.812724D+01  0.132627D+02
      3  -0.111488D+01 -0.558923D+01  0.728755D+01 -0.190634D+02  0.135288D+02
      4   0.279465D+01 -0.488733D+01  0.832102D+01  0.276086D+01 -0.863769D+01
      5   0.381743D+01 -0.973794D-01  0.314412D+01 -0.262380D+02 -0.919828D+01
      6  -0.716996D+01  0.207538D+01 -0.188345D+01  0.241187D+02 -0.158308D+01
                11            12            13            14            15 
      1  -0.819148D+01 -0.257716D+01 -0.124474D+02  0.875499D+01  0.137721D+01
      2   0.402391D+01  0.520746D+01  0.785671D+01 -0.280208D+01 -0.363143D+00
      3   0.416757D+01 -0.263029D+01  0.459073D+01 -0.595291D+01 -0.101407D+01
      4  -0.474160D+01 -0.121279D+01  0.707342D+01  0.263619D+01 -0.966617D+00
      5  -0.217228D+01 -0.455423D+01 -0.603308D+00 -0.513150D-01 -0.555515D+01
      6  -0.307318D+01 -0.201538D+00 -0.106348D+01 -0.108762D+01 -0.129121D+01
                16            17            18            19            20 
      1  -0.154505D+02 -0.223324D+01  0.974712D+01 -0.106002D+02  0.930149D+01
      2   0.747974D+01 -0.426949D+00  0.903473D+01  0.783927D+01 -0.155229D+02
      3   0.797077D+01  0.266019D+01 -0.187818D+02  0.276096D+01  0.622141D+01
      4  -0.105348D+01 -0.118029D+01 -0.262942D+01  0.113128D+01 -0.412653D+01
      5  -0.228796D+01 -0.325202D+01  0.361762D+02  0.195646D+01  0.164495D+01
      6  -0.539565D+00 -0.843845D+00  0.139238D+02  0.988978D+00  0.189127D+01
                21            22            23            24            25 
      1  -0.967044D+00  0.619423D+01  0.621671D+01 -0.465365D+01 -0.114646D+01
      2  -0.136637D+01 -0.127184D+02 -0.149322D+02  0.764256D+00  0.469109D+01
      3   0.233342D+01  0.652414D+01  0.871549D+01  0.388939D+01 -0.354463D+01
      4   0.123494D+01 -0.837542D+01 -0.139076D+02 -0.424803D+00  0.407597D+01
      5  -0.270826D+01  0.245866D+01  0.164312D+01 -0.141191D+01  0.645103D+00
      6  -0.296068D+01 -0.458699D+00  0.627013D+01 -0.608340D+01 -0.164907D+01
                26            27            28            29            30 
      1  -0.377273D+01  0.998424D+01 -0.119650D+02 -0.174415D+01 -0.530726D+01
      2   0.104174D+02  0.115180D+02  0.464563D+01  0.563426D+00  0.221369D+01
      3  -0.664469D+01 -0.215023D+02  0.731937D+01  0.118073D+01  0.309357D+01
      4   0.400939D+01 -0.881551D+00 -0.924202D+01 -0.102752D+01 -0.273907D+01
      5  -0.443900D+00 -0.665677D+01 -0.618101D+01 -0.159264D+01 -0.722620D+01
      6   0.774727D+00 -0.291264D+02 -0.304123D+01  0.604449D-01 -0.400780D+01
                31            32            33            34            35 
      1  -0.604147D+00  0.203704D+02 -0.136645D+00 -0.444043D+01 -0.321839D+00
      2   0.171971D+01 -0.204938D+02 -0.362035D+01 -0.174645D+01 -0.266047D+01
      3  -0.111556D+01  0.123383D+00  0.375699D+01  0.618688D+01  0.298231D+01
      4  -0.631864D+01  0.813889D+00 -0.286972D+01  0.156324D+01 -0.148280D+01
      5   0.252801D+01 -0.214929D+01 -0.804219D+01 -0.372309D+01  0.761607D+00
      6  -0.250591D+00  0.882361D+00 -0.882487D+01 -0.196680D+01 -0.946042D+00
                36            37            38            39            40 
      1   0.102703D+02  0.220903D+02 -0.319805D+01 -0.111131D+01 -0.716579D+00
      2   0.108300D+02 -0.155234D+02  0.308033D+01 -0.132349D+01 -0.827760D-02
      3  -0.211003D+02 -0.656692D+01  0.117724D+00  0.243480D+01  0.724856D+00
      4   0.129601D+01 -0.789726D+01  0.152641D+02 -0.162380D+01  0.161227D+02
      5   0.378347D+02  0.227345D+01  0.532395D-01  0.204607D+02 -0.211975D+01
      6   0.614847D+01 -0.714062D+00  0.285892D+01  0.890637D+01  0.409841D+00
                41            42            43            44            45 
      1  -0.155771D+02  0.358038D+01  0.653212D+01  0.454314D+01 -0.776395D+01
      2   0.219266D+02  0.213174D+00 -0.646694D+01 -0.460335D+01 -0.604911D+01
      3  -0.634947D+01 -0.379355D+01 -0.651855D-01  0.602115D-01  0.138131D+02
      4  -0.777335D+00  0.175901D+01 -0.529665D+01  0.202688D+01 -0.279698D+01
      5   0.702843D+00  0.827567D+01  0.782395D+01 -0.918512D-01  0.880258D+00
      6  -0.357731D+01  0.136589D+02 -0.608999D+00  0.794712D+01  0.111759D+01
                46            47            48            49            50 
      1  -0.221823D+02  0.956204D+01  0.572822D+01 -0.289219D+01  0.942548D+01
      2   0.208591D+02 -0.113619D+02 -0.143967D+01 -0.318145D+01 -0.245290D+02
      3   0.132322D+01  0.179983D+01 -0.428855D+01  0.607364D+01  0.151036D+02
      4   0.501359D+01 -0.961876D+01  0.549579D+00 -0.139388D+02 -0.134439D+02
      5   0.200602D+00 -0.142537D+00 -0.159660D+02  0.156185D+01  0.323590D+00
      6  -0.135166D+00 -0.306442D+01 -0.720282D+01  0.318034D+00  0.127829D+01
                51            52            53            54            55 
      1  -0.786892D+00  0.259038D+01 -0.108618D+01  0.135824D+02 -0.231063D+02
      2   0.198527D+00  0.863549D+00  0.106043D+02  0.114082D+02  0.167570D+02
      3   0.588365D+00 -0.345393D+01 -0.951813D+01 -0.249905D+02  0.634929D+01
      4   0.827727D+00  0.440483D+01 -0.957581D-01  0.876182D+00  0.662986D+01
      5   0.102270D-01 -0.323091D+01 -0.203598D+01 -0.197687D+02 -0.103435D+02
      6  -0.505012D+01 -0.489634D+00 -0.400010D+01 -0.370680D+02  0.933842D+01
                56            57            58            59            60 
      1   0.214377D+00 -0.718179D+01 -0.523815D+01 -0.114292D+02 -0.453011D+01
      2  -0.638213D+01  0.567520D+01 -0.533028D+01  0.309841D+02  0.267014D+01
      3   0.616775D+01  0.150658D+01  0.105684D+02 -0.195549D+02  0.185997D+01
      4   0.196212D+02  0.702251D+01  0.291882D+02 -0.365577D+02 -0.587681D+01
      5   0.250553D+01  0.638404D+01  0.301019D+01 -0.586710D+01 -0.528906D+01
      6  -0.308486D+01 -0.560751D+00 -0.327808D+01  0.829372D+01  0.132702D+02
                61            62            63            64            65 
      1  -0.133466D+02 -0.266712D+01 -0.761265D+01 -0.348959D+00 -0.500043D+00
      2   0.514377D+01  0.860220D+01 -0.397323D+00 -0.254769D+01 -0.755122D+00
      3   0.820287D+01 -0.593509D+01  0.800997D+01  0.289665D+01  0.125516D+01
      4   0.172086D+02 -0.141669D+02 -0.704508D+01 -0.722109D+00  0.419090D+01
      5   0.854867D+01 -0.796533D+01 -0.583687D+01  0.292036D+01 -0.519924D+00
      6  -0.422128D+01  0.135324D+02  0.536957D+01 -0.234281D+01 -0.585666D+00
                66            67            68            69            70 
      1   0.302037D+01 -0.400379D+00 -0.304535D+01  0.243904D+01  0.398239D+01
      2  -0.166680D+01 -0.806374D+00  0.995578D+00 -0.278580D+01 -0.281054D+01
      3  -0.135358D+01  0.120675D+01  0.204977D+01  0.346752D+00 -0.117185D+01
      4  -0.239479D+01  0.391790D+01 -0.154188D+01  0.284025D+01 -0.455310D+01
      5   0.739365D+01  0.185212D+00  0.259998D+01 -0.447400D+00  0.618207D+01
      6   0.868237D+00  0.271596D+00 -0.342578D+01  0.825903D+01 -0.150470D+01
                71            72            73            74            75 
      1   0.370832D+01 -0.181154D+02  0.606340D+02 -0.265578D+01  0.675111D+01
      2  -0.314451D+01 -0.165453D+02 -0.383844D+02 -0.110688D+01 -0.700461D+01
      3  -0.563809D+00  0.346607D+02 -0.222496D+02  0.376266D+01  0.253493D+00
      4   0.506339D+01 -0.195754D+01  0.159477D+01  0.241060D+01  0.426533D+01
      5  -0.218493D+01  0.238046D+02  0.135923D+02  0.413907D+01  0.130990D+02
      6   0.678448D+01 -0.224759D+02  0.238842D+01  0.195359D+01  0.220854D+00
                76            77            78            79            80 
      1  -0.162467D+02 -0.905678D+01 -0.161447D-01  0.224690D+02  0.464340D+01
      2   0.566115D+01  0.201066D+01  0.175242D+01 -0.133386D+02  0.148223D+00
      3   0.105855D+02  0.704612D+01 -0.173627D+01 -0.913042D+01 -0.479163D+01
      4  -0.903298D+01 -0.269107D+02  0.827887D+01  0.992187D+01  0.138132D+02
      5   0.306603D+01  0.920116D+01 -0.462096D+01  0.174179D+02  0.477179D+00
      6   0.113724D+01  0.249652D+01  0.457225D+01  0.235761D+01  0.483471D+01
                81            82            83            84            85 
      1   0.374394D+01  0.335281D+01  0.148771D+01 -0.477290D+01  0.155128D+01
      2  -0.111382D+02 -0.477415D+01 -0.995821D+00  0.276470D+01 -0.987218D+00
      3   0.739426D+01  0.142134D+01 -0.491890D+00  0.200820D+01 -0.564066D+00
      4   0.456645D+00  0.141713D+01  0.978965D+00 -0.740433D+00  0.133497D+01
      5   0.767162D+01 -0.395931D+01 -0.203351D+00  0.695266D+01  0.917976D-01
      6   0.204011D+01 -0.759321D+00  0.349225D+00 -0.543197D+00 -0.781307D+00
                86            87            88            89            90 
      1  -0.511074D+01  0.182149D+01 -0.684943D+01  0.144365D+01 -0.173480D+02
      2   0.112569D+01 -0.126181D+01  0.548050D+01 -0.121983D+01 -0.174124D+02
      3   0.398505D+01 -0.559678D+00  0.136893D+01 -0.223818D+00  0.347604D+02
      4   0.230593D+00 -0.408906D+01 -0.257673D+01 -0.588846D+01  0.158026D+01
      5  -0.438901D+01  0.117856D+01  0.751847D+01  0.239862D+01 -0.330529D+02
      6  -0.208467D+01  0.937225D+01  0.651450D+00  0.620931D+01 -0.995984D+01
                91            92            93            94            95 
      1   0.203619D+01 -0.139468D+01  0.103149D+01 -0.208445D+01 -0.415042D+01
      2  -0.505992D+01  0.198728D+01 -0.370146D+00  0.242979D+01  0.180171D+01
      3   0.302374D+01 -0.592602D+00 -0.661345D+00 -0.345338D+00  0.234871D+01
      4  -0.375954D+00  0.203991D+01  0.245442D+01  0.240751D+01  0.144845D+01
      5   0.101959D+01  0.292283D+00  0.744165D+01 -0.146131D+00  0.653395D+00
      6   0.318355D+01 -0.776965D-01 -0.143891D+00  0.254274D+00  0.297964D+01
                96            97            98            99           100 
      1  -0.225263D+01  0.910107D+00 -0.511178D+01 -0.198373D+02  0.122492D+02
      2   0.389487D+01 -0.154358D+01  0.630512D+01 -0.180683D+02 -0.600176D+01
      3  -0.164225D+01  0.633477D+00 -0.119334D+01  0.379056D+02 -0.624746D+01
      4   0.980359D+00  0.405845D+01  0.174783D+01  0.522878D+00  0.211660D+02
      5  -0.290120D+00  0.553038D+01  0.293876D+00  0.651145D+01 -0.208049D+01
      6   0.738999D+01  0.119124D+01  0.658060D+01  0.268382D+02 -0.536646D+01
               101           102           103           104           105 
      1  -0.222439D+02  0.141086D+00 -0.129439D+02 -0.713858D+01  0.640530D+01
      2   0.389719D+02  0.198417D+01  0.252657D+02  0.164289D+02 -0.437726D+01
      3  -0.167280D+02 -0.212526D+01 -0.123219D+02 -0.929031D+01 -0.202803D+01
      4   0.150210D+02 -0.444502D+01  0.155444D+02  0.295866D+02 -0.604712D+00
      5  -0.565840D+00  0.885546D+01 -0.918286D+00 -0.332885D+01  0.261784D+01
      6  -0.867372D+00  0.673745D+01  0.545088D+00 -0.875240D+01  0.105924D+02
               106           107           108           109           110 
      1  -0.990854D+00  0.110331D+02 -0.793292D+01  0.217841D+01  0.321338D+01
      2  -0.372047D+00 -0.166035D+02  0.617963D+00 -0.426052D+01 -0.187385D+01
      3   0.136290D+01  0.557035D+01  0.731496D+01  0.208212D+01 -0.133953D+01
      4  -0.751859D+01 -0.475456D+01  0.536783D+01  0.894712D+01 -0.216664D+02
      5   0.644480D+01  0.330612D+01 -0.913901D+00  0.150390D+02  0.259719D+01
      6   0.630957D+01  0.137331D+02 -0.528213D+01  0.359410D+01  0.290420D+01
               111           112           113           114           115 
      1   0.674514D+01  0.168081D+02 -0.266024D+02  0.346891D+01  0.187227D+02
      2  -0.679743D+01 -0.125712D+02  0.630108D+01  0.436848D+01 -0.551903D+01
      3   0.522850D-01 -0.423691D+01  0.203014D+02 -0.783739D+01 -0.132037D+02
      4   0.418433D+01 -0.380580D+02 -0.202313D+02  0.900144D+01 -0.241523D+01
      5  -0.159260D+00 -0.970488D+00  0.101528D+02  0.251955D+01 -0.676827D+01
      6   0.645908D+01  0.946312D+00  0.135188D+01 -0.587879D+01 -0.118023D+01
               116           117           118           119           120 
      1   0.132083D+01  0.108404D+02  0.432572D+01  0.112081D+01 -0.305254D+01
      2   0.165603D+01  0.139640D+02 -0.562382D+01 -0.988651D+00  0.187000D+01
      3  -0.297685D+01 -0.248044D+02  0.129810D+01 -0.132159D+00  0.118254D+01
      4   0.125414D+02 -0.124325D+02  0.783843D+00  0.174443D+01  0.650635D+00
      5  -0.994435D+01 -0.497878D+02 -0.345100D+01  0.412333D+00  0.975242D+01
      6  -0.175095D+01 -0.399403D+01 -0.187855D+00 -0.208944D-01 -0.529792D+00
               121           122           123           124           125 
      1   0.143629D+01 -0.551730D+01 -0.107813D+01 -0.628322D+01  0.108778D+01
      2  -0.119443D+01  0.197014D+01  0.132005D+00  0.770967D+01  0.127614D+00
      3  -0.241859D+00  0.354716D+01  0.946127D+00 -0.142645D+01 -0.121539D+01
      4   0.203874D+01  0.351005D+00 -0.242799D+01 -0.628770D+00 -0.358969D+01
      5  -0.776161D+00 -0.355007D+01  0.139492D+01  0.932074D+01  0.104800D+01
      6  -0.621324D+00 -0.308801D+00  0.864754D+01  0.100026D+01  0.565663D+01
               126           127           128           129           130 
      1  -0.184158D+02  0.788746D+01 -0.179784D+01 -0.654372D+00  0.393275D+00
      2  -0.187470D+02  0.163585D+01  0.745353D+01  0.981391D+00  0.681705D+01
      3   0.371628D+02 -0.952331D+01 -0.565569D+01 -0.327019D+00 -0.721032D+01
      4   0.414607D+00  0.720952D+01  0.180278D+02 -0.188908D+00  0.209536D+02
      5  -0.286975D+02 -0.763187D+00 -0.676921D+00  0.623598D+01 -0.127393D+01
      6  -0.331150D+01 -0.104151D+01  0.586101D+00 -0.152285D+01  0.921698D+00
               131           132           133           134           135 
      1  -0.367997D+02  0.538558D+00 -0.164998D+01 -0.587651D+01  0.281542D+01
      2   0.686671D+02  0.132837D+01  0.101131D+01  0.474808D+01 -0.131162D-01
      3  -0.318674D+02 -0.186693D+01  0.638665D+00  0.112842D+01 -0.280231D+01
      4   0.249137D+02  0.112898D+01  0.109453D+01  0.320547D+01 -0.336916D+01
      5   0.661923D+00  0.448771D+00  0.349215D+01 -0.142176D+01  0.125227D+02
      6  -0.133229D+01  0.933503D+01 -0.230127D+01  0.198512D+01  0.343470D+02
               136           137           138           139           140 
      1   0.681037D+00 -0.761646D+00  0.162027D+01 -0.155008D+01 -0.589652D+01
      2  -0.368974D+01  0.808061D+00  0.570011D-01  0.184271D+01  0.439690D+01
      3   0.300870D+01 -0.464157D-01 -0.167727D+01 -0.292628D+00  0.149962D+01
      4  -0.560983D+00  0.348718D+01  0.369296D+01  0.280299D+01  0.203336D+01
      5   0.156382D+01  0.957556D+00  0.844631D+01  0.666234D-01  0.127863D+01
      6   0.442608D+01  0.982109D-01  0.637562D+00 -0.297223D-02  0.443529D+01
               141           142           143           144           145 
      1  -0.246149D+01  0.725368D+00 -0.805809D+01 -0.221880D+02  0.472212D+02
      2   0.396418D+01 -0.714477D+00  0.544901D+01 -0.134688D+02 -0.209466D+02
      3  -0.150269D+01 -0.108912D-01  0.260907D+01  0.356568D+02 -0.262746D+02
      4   0.950147D+00  0.524444D+01  0.411547D+01  0.132678D+01 -0.373494D+02
      5  -0.368272D+00  0.624479D+01  0.267602D+01  0.135104D+02  0.369745D+01
      6   0.808582D+01  0.183123D+01  0.116056D+02  0.331320D+02 -0.486782D+01
               146           147           148           149           150 
      1  -0.440515D+01  0.602664D+01  0.429934D+00  0.208068D+01  0.672294D+00
      2  -0.385402D+01 -0.237223D+01 -0.226105D+01  0.816289D+00 -0.111365D+01
      3   0.825917D+01 -0.365441D+01  0.183112D+01 -0.289697D+01  0.441351D+00
      4   0.156153D+02 -0.328915D+01  0.515242D+01 -0.205684D+01  0.106374D+01
      5  -0.147332D+00  0.779395D+01  0.401779D+00  0.112776D+01 -0.108721D+01
      6  -0.741301D-01 -0.630874D+01 -0.127244D+00 -0.459469D+00  0.304237D+00
               151           152           153           154           155 
      1   0.108871D+02 -0.491411D+00  0.419927D+01  0.203608D+02  0.125308D+02
      2  -0.549510D+01 -0.138273D+01 -0.234180D+01 -0.688393D+01 -0.243103D+01
      3  -0.539195D+01  0.187415D+01 -0.185746D+01 -0.134768D+02 -0.100997D+02
      4  -0.888851D+01  0.360239D+01 -0.403602D+01  0.179642D+02  0.200582D+02
      5   0.654032D+01 -0.144135D+01  0.219242D+01 -0.180575D+01 -0.163999D+01
      6  -0.418231D+01  0.194800D+01 -0.826052D+00 -0.399961D+00  0.552246D+00
               156           157           158           159           160 
      1  -0.257673D+01  0.252300D+02  0.136157D+02 -0.127917D+01 -0.697122D+01
      2   0.378503D+00 -0.802459D+01  0.361299D+01 -0.141186D+01  0.273207D+01
      3   0.219823D+01 -0.172054D+02 -0.172287D+02  0.269103D+01  0.423915D+01
      4  -0.215006D+01  0.282865D+02  0.361419D+02 -0.461324D+01 -0.709400D+01
      5   0.536766D+01 -0.206184D+01 -0.476704D+01  0.796693D+01  0.551130D+01
      6   0.193136D+01  0.418373D-01 -0.431442D+00  0.285763D+01  0.196813D+01
               161           162           163           164           165 
      1  -0.379803D+01  0.293992D+01 -0.600179D+01  0.178186D+02  0.305476D+00
      2  -0.366073D-01 -0.100451D+01  0.101461D+02 -0.285064D+02 -0.112305D+01
      3   0.383464D+01 -0.193541D+01 -0.414430D+01  0.106878D+02  0.817578D+00
      4  -0.914546D+01  0.490100D+01 -0.100825D+02  0.623282D+01  0.144290D+01
      5   0.480896D+01 -0.159932D+01  0.366149D+00 -0.949605D+00 -0.137556D+01
      6   0.280438D+01 -0.140091D+01  0.172621D+01 -0.638173D+00 -0.382067D+01
               166           167           168           169           170 
      1   0.896637D+01 -0.293421D+02 -0.755960D+00  0.114994D+01 -0.434000D+01
      2  -0.134596D+02  0.494788D+02  0.233940D+01 -0.181546D+01  0.646835D+01
      3   0.449324D+01 -0.201368D+02 -0.158344D+01  0.665512D+00 -0.212835D+01
      4   0.981845D+01 -0.627572D+01 -0.491978D+00  0.181104D+01 -0.122392D+01
      5  -0.776513D+00  0.108046D+01  0.525208D+00  0.946547D+00  0.155802D+00
      6  -0.793366D+00  0.109610D+01  0.740039D+01 -0.168952D+01  0.559867D+01
               171           172           173           174           175 
      1  -0.293784D+01  0.700056D+02 -0.106139D+02 -0.789383D+01 -0.113464D+02
      2   0.385282D+01 -0.367168D+02 -0.209231D+01  0.755021D+01  0.131948D+01
      3  -0.914980D+00 -0.332888D+02  0.127062D+02  0.343628D+00  0.100269D+02
      4  -0.869655D+00 -0.277893D+02  0.339449D+02  0.691117D+00  0.360455D+02
      5  -0.815493D+00 -0.112369D+02 -0.787254D-01  0.162162D+02  0.116170D+01
      6   0.382878D+00  0.106737D+01 -0.502576D+00 -0.579706D+01 -0.452917D+00
               176           177           178           179           180 
      1   0.302324D+02 -0.555818D+01 -0.191570D+02  0.519524D+00  0.633912D+01
      2  -0.172645D+02  0.113981D+01  0.104120D+02  0.247937D+01 -0.124136D+02
      3  -0.129679D+02  0.441836D+01  0.874492D+01 -0.299890D+01  0.607445D+01
      4   0.447380D+01 -0.596921D+01  0.799858D+01 -0.123210D+02 -0.556030D+01
      5  -0.777144D+01  0.635849D+00  0.210289D+02 -0.610527D+01 -0.633121D+01
      6   0.364331D+01  0.996493D+01 -0.399452D+01  0.661924D+01  0.432948D+01
               181           182           183           184           185 
      1  -0.138126D+01  0.162291D+01  0.823284D+01 -0.255123D+01  0.532239D+00
      2  -0.194959D+01 -0.501190D+00 -0.400816D+01  0.212912D+01 -0.149689D+01
      3   0.333085D+01 -0.112172D+01 -0.422469D+01  0.422101D+00  0.964653D+00
      4   0.125373D+01  0.402406D+01 -0.117823D+00  0.627317D+01  0.318847D+01
      5   0.642126D+01 -0.881775D-01  0.499835D+01  0.564017D-01  0.502245D+01
      6  -0.795537D-01 -0.803043D+00 -0.531958D+00  0.385277D+00  0.939470D+00
               186           187           188           189           190 
      1  -0.120606D+01  0.122110D+02 -0.485281D+01 -0.158675D+02  0.207319D+02
      2   0.392266D+00 -0.980610D+01  0.267648D+00 -0.206071D+02 -0.746937D+01
      3   0.813794D+00 -0.240491D+01  0.458516D+01  0.364746D+02 -0.132626D+02
      4   0.511027D+01  0.291581D+00  0.932704D+01  0.981358D+01  0.186044D+02
      5  -0.141233D+01  0.145909D+02  0.765031D+01  0.551284D+02 -0.500172D+01
      6   0.657977D+01  0.103886D+01  0.677364D+01  0.515455D+01 -0.117381D+01
               191           192           193           194           195 
      1   0.134122D+02 -0.499499D+01  0.195258D+02  0.100339D+02 -0.771753D+00
      2  -0.399805D+01  0.172129D+01 -0.635096D+01  0.717164D+01 -0.147020D+01
      3  -0.941416D+01  0.327370D+01 -0.131749D+02 -0.172055D+02  0.224195D+01
      4   0.214421D+02 -0.245666D+01  0.257683D+02  0.421195D+02 -0.646386D+01
      5  -0.186647D+01  0.615423D+01 -0.184232D+01 -0.593115D+01  0.701188D+01
      6  -0.493707D+00  0.206686D+01 -0.451924D+00 -0.204681D+01  0.428248D+01
               196           197           198           199           200 
      1  -0.103787D+02 -0.190461D+01  0.201275D+01 -0.133441D+01 -0.165765D+00
      2   0.464051D+01 -0.490904D+00 -0.267508D+01  0.107018D+01  0.125695D+01
      3   0.573815D+01  0.239551D+01  0.662326D+00  0.264233D+00 -0.109118D+01
      4  -0.456088D+01 -0.117619D+02  0.761873D+01  0.226510D+01  0.327081D+01
      5   0.751538D+01  0.778542D+01 -0.181168D+01 -0.129350D+01 -0.115742D+01
      6   0.221003D+01  0.433408D+01 -0.240513D+01 -0.275266D+01 -0.127690D+01
               201           202           203           204           205 
      1  -0.508478D+00  0.656135D+00 -0.448508D+01  0.241563D+01 -0.143028D+01
      2  -0.670133D-01  0.170951D+00  0.669896D+01 -0.459039D+01  0.294726D+00
      3   0.575491D+00 -0.827086D+00 -0.221388D+01  0.217476D+01  0.113555D+01
      4  -0.327578D+01  0.307560D+01  0.229381D+01 -0.184344D+01 -0.820250D+01
      5   0.248891D+01 -0.353248D+00 -0.147636D+01  0.177279D+01  0.416522D+01
      6   0.212562D+01 -0.920237D+00 -0.457192D+01  0.574034D+01  0.503436D+01
               206           207           208           209           210 
      1   0.128478D+02 -0.145874D+02 -0.108267D+02 -0.818463D+01  0.192154D+01
      2  -0.155008D+02  0.366930D+01  0.733586D+01  0.827074D+01 -0.103888D+01
      3   0.265304D+01  0.109181D+02  0.349079D+01 -0.861037D-01 -0.882665D+00
      4  -0.778486D+01  0.734118D+01  0.104134D+01 -0.104536D+02  0.130505D+00
      5   0.547918D+01 -0.144261D+02  0.139038D+01  0.117862D+01 -0.247091D+01
      6   0.177470D+02 -0.406170D+02 -0.723655D+00 -0.779170D+00  0.272797D+00
               211           212           213           214           215 
      1  -0.198995D+02 -0.166259D+02  0.222129D+01  0.370741D+01  0.317287D+01
      2   0.117499D+02  0.247335D+02 -0.293305D+01 -0.221204D+01 -0.331938D+01
      3   0.814958D+01 -0.810759D+01  0.711767D+00 -0.149537D+01  0.146516D+00
      4   0.410080D+01 -0.383089D+02  0.190543D+01  0.260822D-02  0.562216D+01
      5   0.209741D+01  0.314185D+01 -0.965104D+01  0.139692D+01 -0.334832D+01
      6   0.402975D-01 -0.161195D+01  0.368831D+01  0.409923D+00  0.359839D+01
               216 
      1  -0.127300D+01
      2   0.139046D+01
      3  -0.117460D+00
      4  -0.269830D+01
      5  -0.297005D+00
      6  -0.737504D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.182242D+01      0.463212D+01      0.154511D+02
   x         -0.160935D+01     -0.409056D+01     -0.136446D+02
   y         -0.237664D+00     -0.604082D+00     -0.201500D+01
   z          0.821406D+00      0.208781D+01      0.696417D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119665D+03      0.177325D+02      0.197301D+02
   aniso      0.179092D+02      0.265388D+01      0.295284D+01
   xx         0.126445D+03      0.187372D+02      0.208480D+02
   yx         0.307544D+01      0.455732D+00      0.507071D+00
   yy         0.124177D+03      0.184011D+02      0.204740D+02
   zx        -0.358596D+00     -0.531385D-01     -0.591245D-01
   zy        -0.634450D+00     -0.940157D-01     -0.104607D+00
   zz         0.108373D+03      0.160592D+02      0.178682D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114701D+03      0.169969D+02      0.189116D+02
   aniso      0.231339D+02      0.342809D+01      0.381426D+01
   xx         0.124757D+03      0.184871D+02      0.205696D+02
   yx         0.175015D+01      0.259346D+00      0.288561D+00
   yy         0.119643D+03      0.177292D+02      0.197264D+02
   zx        -0.573271D-03     -0.849500D-04     -0.945196D-04
   zy        -0.302146D+00     -0.447734D-01     -0.498171D-01
   zz         0.997032D+02      0.147745D+02      0.164388D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.45663162          2.00010418          1.41649171
     6         -0.97410759         -0.41080423          2.89770383
     6          0.51399457          2.35059242         -0.64289062
     6          0.65072452         -0.02408092         -2.27355009
     8          1.15522080         -2.17403126         -0.71340614
     6         -0.76279484         -2.66229506          1.09597113
     8         -1.36864485          4.18381359          2.98446448
     1         -3.32084176          1.85628168          0.51966115
     8         -3.01593945         -0.70904739          4.61314046
     1          0.82191862         -0.22915166          3.91921655
     1          2.35954164          2.65614969          0.25180995
     8         -0.10769818          4.42742005         -2.22726293
     6          2.75310245          0.07191529         -4.21454910
     1         -1.16348669         -0.28847301         -3.24357315
     8         -0.18111376         -4.90015581          2.35352163
     1         -2.57435351         -2.98841336          0.14831257
     1         -2.67961098          4.02906651          4.24277272
     1         -2.68836431         -2.16889092          5.65568100
     1         -0.46900873          5.84875943         -1.14039048
     8          2.78098809         -2.12986547         -5.75424288
     1          4.56298118          0.31343840         -3.23555454
     1          2.46413178          1.68097933         -5.46207682
     1          1.39640436         -4.67880650          3.25222033
     1          2.84246654         -3.56860967         -4.63284994

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.182242D+01      0.463212D+01      0.154511D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.182242D+01      0.463212D+01      0.154511D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119665D+03      0.177325D+02      0.197301D+02
   aniso      0.179092D+02      0.265388D+01      0.295284D+01
   xx         0.111907D+03      0.165830D+02      0.184510D+02
   yx        -0.102208D+01     -0.151456D+00     -0.168518D+00
   yy         0.123284D+03      0.182688D+02      0.203268D+02
   zx        -0.688607D+01     -0.102041D+01     -0.113536D+01
   zy        -0.363988D+01     -0.539374D+00     -0.600135D+00
   zz         0.123803D+03      0.183458D+02      0.204124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114701D+03      0.169969D+02      0.189116D+02
   aniso      0.231339D+02      0.342809D+01      0.381426D+01
   xx         0.105100D+03      0.155742D+02      0.173287D+02
   yx        -0.193374D+01     -0.286551D+00     -0.318831D+00
   yy         0.118983D+03      0.176315D+02      0.196177D+02
   zx        -0.996191D+01     -0.147620D+01     -0.164250D+01
   zy        -0.245219D+01     -0.363378D+00     -0.404312D+00
   zz         0.120019D+03      0.177850D+02      0.197885D+02

 ----------------------------------------------------------------------
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 The most important thing in communication is to hear what isn't being said.
 -- Peter F. Drucker
 Job cpu time:       0 days  7 hours 16 minutes  0.1 seconds.
 Elapsed time:       0 days  0 hours 54 minutes 34.8 seconds.
 File lengths (MBytes):  RWF=    434 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 20:09:40 2022.
